format-version: 1.2 data-version: 103 date: 01:05:2013 18:36 saved-by: chebi default-namespace: chebi_ontology remark: ChEBI subsumes and replaces the Chemical Ontology first synonymtypedef: IUPAC_NAME "IUPAC NAME" synonymtypedef: FORMULA "FORMULA" synonymtypedef: SMILES "SMILES" synonymtypedef: InChI "InChI" synonymtypedef: InChIKey "InChIKey" synonymtypedef: BRAND_NAME "BRAND NAME" synonymtypedef: INN "INN" remark: developed by Michael Ashburner & Pankaj Jaiswal. remark: Author: ChEBI curation team remark: ChEBI Release version 103 remark: For any queries contact chebi-help@ebi.ac.uk ontology: chebi [Term] id: CHEBI:24431 name: chemical entity def: "A chemical entity is a physical entity of interest in chemistry including molecular entities, parts thereof, and chemical substances." [] [Term] id: CHEBI:23367 name: molecular entity def: "Any constitutionally or isotopically distinct atom, molecule, ion, ion pair, radical, radical ion, complex, conformer etc., identifiable as a separately distinguishable entity." [] synonym: "entidades moleculares" RELATED [IUPAC:] synonym: "molekulare Entitaet" RELATED [ChEBI:] synonym: "entite moleculaire" RELATED [IUPAC:] synonym: "entidad molecular" RELATED [IUPAC:] synonym: "molecular entity" EXACT IUPAC_NAME [IUPAC:] synonym: "molecular entities" RELATED [IUPAC:] is_a: CHEBI:24431 [Term] id: CHEBI:24870 name: ion def: "A molecular entity having a net electric charge." [] synonym: "ion" EXACT IUPAC_NAME [IUPAC:] synonym: "iones" RELATED [ChEBI:] synonym: "ions" RELATED [ChEBI:] synonym: "Ion" EXACT [ChEBI:] synonym: "ion" EXACT [ChEBI:] synonym: "Ionen" RELATED [ChEBI:] is_a: CHEBI:23367 [Term] id: CHEBI:24867 name: monoatomic ion synonym: "monoatomic ions" RELATED [ChEBI:] is_a: CHEBI:24870 is_a: CHEBI:33238 [Term] id: CHEBI:23905 name: monoatomic anion synonym: "monoatomic anions" RELATED [ChEBI:] is_a: CHEBI:24867 is_a: CHEBI:22563 [Term] id: CHEBI:33429 name: monoatomic monoanion synonym: "monoatomic monoanions" RELATED [ChEBI:] synonym: "." RELATED FORMULA [ChEBI:] synonym: "[*-]" RELATED SMILES [ChEBI:] is_a: CHEBI:23905 is_a: CHEBI:36830 [Term] id: CHEBI:30151 name: aluminide(1-) def: "A monoatomic aluminium that has formula Al." [] synonym: "Aluminum anion" RELATED [NIST Chemistry WebBook:] synonym: "Al(-)" RELATED [IUPAC:] synonym: "aluminide(1-)" EXACT IUPAC_NAME [IUPAC:] synonym: "aluminide(-I)" EXACT IUPAC_NAME [IUPAC:] synonym: "Al" RELATED FORMULA [ChEBI:] synonym: "[Al-]" RELATED SMILES [ChEBI:] synonym: "InChI=1S/Al/q-1" RELATED InChI [ChEBI:] synonym: "InChIKey=SBLSYFIUPXRQRY-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: NIST Chemistry WebBook:22325-47-9 "CAS Registry Number" is_a: CHEBI:33429 is_a: CHEBI:33627 [Term] id: CHEBI:16042 name: halide anion alt_id: CHEBI:14384 alt_id: CHEBI:5605 synonym: "halide ions" EXACT IUPAC_NAME [IUPAC:] synonym: "halide(1-)" RELATED [ChEBI:] synonym: "halogen anion" RELATED [ChEBI:] synonym: "halides" RELATED [ChEBI:] synonym: "halide anions" RELATED [ChEBI:] synonym: "halide" RELATED [UniProt:] synonym: "Halide" RELATED [KEGG COMPOUND:] xref: KEGG COMPOUND:C00462 "KEGG COMPOUND" is_a: CHEBI:33429 is_a: CHEBI:24834 [Term] id: CHEBI:17051 name: fluoride alt_id: CHEBI:49593 alt_id: CHEBI:14271 alt_id: CHEBI:5113 def: "A monoatomic fluorine that has formula F." [] synonym: "fluoride(1-)" EXACT IUPAC_NAME [IUPAC:] synonym: "Fluorine anion" RELATED [NIST Chemistry WebBook:] synonym: "fluoride" EXACT [UniProt:] synonym: "fluoride" EXACT IUPAC_NAME [IUPAC:] synonym: "F(-)" RELATED [IUPAC:] synonym: "FLUORIDE ION" RELATED [PDBeChem:] synonym: "Fluoride" EXACT [KEGG COMPOUND:] synonym: "F-" RELATED [KEGG COMPOUND:] synonym: "F" RELATED FORMULA [KEGG COMPOUND:] synonym: "[F-]" RELATED SMILES [ChEBI:] synonym: "InChI=1S/FH/h1H/p-1" RELATED InChI [ChEBI:] synonym: "InChIKey=KRHYYFGTRYWZRS-UHFFFAOYSA-M" RELATED InChIKey [ChEBI:] xref: Gmelin:14905 "Gmelin Registry Number" xref: NIST Chemistry WebBook:16984-48-8 "CAS Registry Number" xref: ChemIDplus:16984-48-8 "CAS Registry Number" xref: PDBeChem:F "PDBeChem" xref: KEGG COMPOUND:C00742 "KEGG COMPOUND" is_a: CHEBI:16042 is_a: CHEBI:36895 relationship: is_conjugate_base_of CHEBI:29228 [Term] id: CHEBI:24060 name: fluoride salt synonym: "fluorides" RELATED [ChEBI:] synonym: "fluoride salts" RELATED [ChEBI:] is_a: CHEBI:33958 is_a: CHEBI:24062 relationship: has_part CHEBI:17051 [Term] id: CHEBI:28741 name: sodium fluoride alt_id: CHEBI:26713 alt_id: CHEBI:9178 def: "A metal fluoride salt with a Na(+) counterion." [] synonym: "sodium fluoride" EXACT IUPAC_NAME [IUPAC:] synonym: "NaF" RELATED [IUPAC:] synonym: "Sodium fluoride" EXACT [KEGG COMPOUND:] synonym: "FNa" RELATED FORMULA [ChEBI:] synonym: "Na.F" RELATED FORMULA [KEGG COMPOUND:] synonym: "[F-].[Na+]" RELATED SMILES [ChEBI:] synonym: "InChI=1S/FH.Na/h1H;/q;+1/p-1" RELATED InChI [ChEBI:] synonym: "InChIKey=PUZPDOWCWNUUKD-UHFFFAOYSA-M" RELATED InChIKey [ChEBI:] xref: ChemIDplus:7681-49-4 "CAS Registry Number" xref: Wikipedia:Sodium_Fluoride "Wikipedia" xref: KEGG COMPOUND:7681-49-4 "CAS Registry Number" xref: KEGG COMPOUND:C08142 "KEGG COMPOUND" is_a: CHEBI:24060 relationship: has_role CHEBI:25435 [Term] id: CHEBI:32129 name: diamminesilver(1+) fluoride def: "A fluoride salt that has formula Ag.F.2H3N." [] synonym: "Silver diammine fluoride" RELATED [KEGG COMPOUND:] synonym: "diamminesilver(I) fluoride" EXACT IUPAC_NAME [IUPAC:] synonym: "diamminefluorosilver" RELATED [ChemIDplus:] synonym: "diamminesilver(1+) fluoride" EXACT IUPAC_NAME [IUPAC:] synonym: "diammine silver fluoride" RELATED [ChemIDplus:] synonym: "[Ag(NH3)2]F" RELATED [IUPAC:] synonym: "Ag.F.2H3N" RELATED FORMULA [KEGG COMPOUND:] synonym: "AgFH6N2" RELATED FORMULA [ChEBI:] synonym: "[F-].[H][N]([H])([H])[Ag+][N]([H])([H])[H]" RELATED SMILES [ChEBI:] synonym: "InChI=1S/Ag.FH.2H3N/h;1H;2*1H3/q+1;;;/p-1" RELATED InChI [ChEBI:] synonym: "InChIKey=FJKGRAZQBBWYLG-UHFFFAOYSA-M" RELATED InChIKey [ChEBI:] xref: KEGG COMPOUND:34445-07-3 "CAS Registry Number" xref: KEGG COMPOUND:C12951 "KEGG COMPOUND" xref: ChemIDplus:34445-07-3 "CAS Registry Number" is_a: CHEBI:24060 relationship: has_part CHEBI:33049 [Term] id: CHEBI:30340 name: silver monofluoride def: "A silver salt that has formula AgF." [] synonym: "AgF" RELATED [IUPAC:] synonym: "silver monofluoride" EXACT IUPAC_NAME [IUPAC:] synonym: "silver(1+) fluoride" EXACT IUPAC_NAME [IUPAC:] synonym: "argentous fluoride" RELATED [NIST Chemistry WebBook:] synonym: "silver(I) fluoride" EXACT IUPAC_NAME [IUPAC:] synonym: "AgF" RELATED FORMULA [ChEBI:] synonym: "[F-].[Ag+]" RELATED SMILES [ChEBI:] synonym: "InChI=1S/Ag.FH/h;1H/q+1;/p-1" RELATED InChI [ChEBI:] synonym: "InChIKey=REYHXKZHIMGNSE-UHFFFAOYSA-M" RELATED InChIKey [ChEBI:] xref: NIST Chemistry WebBook:7775-41-9 "CAS Registry Number" xref: ChemIDplus:7775-41-9 "CAS Registry Number" xref: Gmelin:122625 "Gmelin Registry Number" is_a: CHEBI:33968 is_a: CHEBI:24060 [Term] id: CHEBI:51990 name: tetrabutylammonium fluoride def: "A tetrabutylammonium salt that has formula C16H36FN." [] synonym: "N,N,N-tributylbutan-1-aminium fluoride" EXACT IUPAC_NAME [IUPAC:] synonym: "C16H36FN" RELATED FORMULA [ChEBI:] synonym: "[F-].CCCC[N+](CCCC)(CCCC)CCCC" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C16H36N.FH/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;/h5-16H2,1-4H3;1H/q+1;/p-1" RELATED InChI [ChEBI:] synonym: "InChIKey=FPGGTKZVZWFYPV-UHFFFAOYSA-M" RELATED InChIKey [ChEBI:] xref: Beilstein:3570522 "Beilstein Registry Number" xref: CiteXplore:21517057 "PubMed citation" xref: ChemIDplus:429-41-4 "CAS Registry Number" xref: CiteXplore:15074950 "PubMed citation" xref: CiteXplore:21142041 "PubMed citation" xref: CiteXplore:22229781 "PubMed citation" xref: Reaxys:3570522 "Reaxys Registry Number" is_a: CHEBI:24060 is_a: CHEBI:51992 relationship: has_role CHEBI:63060 [Term] id: CHEBI:49499 name: beryllium difluoride def: "A compound of beryllium (+2 oxidation state) and fluoride in the ratio 1:2." [] synonym: "BeF2" RELATED [ChemIDplus:] synonym: "Be2F4" RELATED [ChemIDplus:] synonym: "Beryllium fluoride" RELATED [ChemIDplus:] synonym: "BeF2" RELATED FORMULA [ChEBI:] synonym: "F[Be]F" RELATED SMILES [ChEBI:] synonym: "InChI=1S/Be.2FH/h;2*1H/q+2;;/p-2" RELATED InChI [ChEBI:] synonym: "InChIKey=JZKFIPKXQBZXMW-UHFFFAOYSA-L" RELATED InChIKey [ChEBI:] xref: NIST Chemistry WebBook:7787-49-7 "CAS Registry Number" xref: Gmelin:95146 "Gmelin Registry Number" xref: MetaCyc:CPD0-1230 "MetaCyc" xref: ChemIDplus:7787-49-7 "CAS Registry Number" xref: CiteXplore:11897645 "PubMed citation" is_a: CHEBI:33780 is_a: CHEBI:24060 [Term] id: CHEBI:66871 name: ammonium fluoride def: "A fluoride salt having ammonium (NH4+) as the counterion." [] synonym: "Fluorure d'ammonium" RELATED [ChEBI:] synonym: "ammonium fluoride" EXACT IUPAC_NAME [IUPAC:] synonym: "Ammonium fluorure" RELATED [ChEBI:] synonym: "Fluoruro amonico" RELATED [ChEBI:] synonym: "NH4F" RELATED [ChEBI:] synonym: "FH4N" RELATED FORMULA [ChEBI:] synonym: "[F-].[H][N+]([H])([H])[H]" RELATED SMILES [ChEBI:] synonym: "InChI=1S/FH.H3N/h1H;1H3" RELATED InChI [ChEBI:] synonym: "InChIKey=LDDQLRUQCUTJBB-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: Reaxys:13192588 "Reaxys Registry Number" xref: Wikipedia:Ammonium_fluoride "Wikipedia" xref: ChemIDplus:12125-01-8 "CAS Registry Number" is_a: CHEBI:47704 is_a: CHEBI:24060 [Term] id: CHEBI:66872 name: potassium fluoride def: "A fluoride salt having K+ as the counterion." [] synonym: "Potassium fluorure" RELATED [ChemIDplus:] synonym: "potassium fluoride" EXACT IUPAC_NAME [IUPAC:] synonym: "Fluorure de potassium" RELATED [ChemIDplus:] synonym: "FK" RELATED FORMULA [ChEBI:] synonym: "[F-].[K+]" RELATED SMILES [ChEBI:] synonym: "InChI=1S/FH.K/h1H;/q;+1/p-1" RELATED InChI [ChEBI:] synonym: "InChIKey=NROKBHXJSPEDAR-UHFFFAOYSA-M" RELATED InChIKey [ChEBI:] xref: Reaxys:3902818 "Reaxys Registry Number" xref: ChemIDplus:7789-23-3 "CAS Registry Number" xref: SUBMITTER:3902818 "Beilstein Registry Number" xref: CiteXplore:22721409 "PubMed citation" xref: CiteXplore:22700337 "PubMed citation" xref: CiteXplore:22359362 "PubMed citation" xref: CiteXplore:21486073 "PubMed citation" xref: CiteXplore:22013284 "PubMed citation" xref: CiteXplore:21636316 "PubMed citation" xref: NIST Chemistry WebBook:7789-23-3 "CAS Registry Number" xref: CiteXplore:22169214 "PubMed citation" xref: Wikipedia:Potassium_fluoride "Wikipedia" xref: CiteXplore:22777777 "PubMed citation" xref: CiteXplore:21412559 "PubMed citation" xref: CiteXplore:21863787 "PubMed citation" xref: Reaxys:11339017 "Reaxys Registry Number" is_a: CHEBI:24060 is_a: CHEBI:26218 relationship: has_role CHEBI:64909 [Term] id: CHEBI:17996 name: chloride alt_id: CHEBI:13970 alt_id: CHEBI:48804 alt_id: CHEBI:13291 alt_id: CHEBI:3731 alt_id: CHEBI:3616 def: "A halide anion formed when chlorine picks up an electron to form an an anion." [] synonym: "Chloride(1-)" RELATED [ChemIDplus:] synonym: "Cl(-)" RELATED [IUPAC:] synonym: "chloride" EXACT IUPAC_NAME [IUPAC:] synonym: "chloride(1-)" EXACT IUPAC_NAME [IUPAC:] synonym: "Chlorine anion" RELATED [NIST Chemistry WebBook:] synonym: "CHLORIDE ION" RELATED [PDBeChem:] synonym: "Cl(-)" RELATED [UniProt:] synonym: "Cl-" RELATED [KEGG COMPOUND:] synonym: "Chloride" EXACT [KEGG COMPOUND:] synonym: "Cl" RELATED FORMULA [KEGG COMPOUND:] synonym: "[Cl-]" RELATED SMILES [ChEBI:] synonym: "InChI=1S/ClH/h1H/p-1" RELATED InChI [ChEBI:] synonym: "InChIKey=VEXZGXHMUGYJMC-UHFFFAOYSA-M" RELATED InChIKey [ChEBI:] xref: Gmelin:14910 "Gmelin Registry Number" xref: UM-BBD:c0884 "UM-BBD compID" xref: Beilstein:3587171 "Beilstein Registry Number" xref: ChemIDplus:16887-00-6 "CAS Registry Number" xref: NIST Chemistry WebBook:16887-00-6 "CAS Registry Number" xref: PDBeChem:CL "PDBeChem" xref: KEGG COMPOUND:C00698 "KEGG COMPOUND" xref: KEGG COMPOUND:C00115 "KEGG COMPOUND" is_a: CHEBI:16042 is_a: CHEBI:33432 relationship: is_conjugate_base_of CHEBI:17883 [Term] id: CHEBI:23114 name: chloride salt synonym: "chlorides" RELATED [ChEBI:] synonym: "chloride salts" RELATED [ChEBI:] is_a: CHEBI:33958 relationship: has_part CHEBI:17996 is_a: CHEBI:23117 [Term] id: CHEBI:36093 name: inorganic chloride salt synonym: "inorganic chloride salts" RELATED [ChEBI:] is_a: CHEBI:23114 is_a: CHEBI:24839 [Term] id: CHEBI:6636 name: magnesium dichloride def: "A magnesium halide that has formula Cl2Mg." [] synonym: "Magnesium chloride" RELATED [KEGG COMPOUND:] synonym: "[MgCl2]" RELATED [MolBase:] synonym: "MgCl2" RELATED [IUPAC:] synonym: "magnesium dichloride" EXACT IUPAC_NAME [IUPAC:] synonym: "Magnesium chloride anhydrous" RELATED [KEGG COMPOUND:] synonym: "Magnesiumchlorid" RELATED [ChEBI:] synonym: "Cl2Mg" RELATED FORMULA [KEGG COMPOUND:] synonym: "[Mg++].[Cl-].[Cl-]" RELATED SMILES [ChEBI:] synonym: "InChI=1S/2ClH.Mg/h2*1H;/q;;+2/p-2" RELATED InChI [ChEBI:] synonym: "InChIKey=TWRXJAOTZQYOKJ-UHFFFAOYSA-L" RELATED InChIKey [ChEBI:] xref: NIST Chemistry WebBook:7786-30-3 "CAS Registry Number" xref: Gmelin:9305 "Gmelin Registry Number" xref: ChemIDplus:7786-30-3 "CAS Registry Number" xref: KEGG COMPOUND:7786-30-3 "CAS Registry Number" xref: KEGG COMPOUND:C07755 "KEGG COMPOUND" xref: MolBase:1868 "MolBase" is_a: CHEBI:33975 is_a: CHEBI:36093 is_a: CHEBI:51234 [Term] id: CHEBI:31206 name: ammonium chloride def: "An inorganic chloride salt that has formula ClH4N." [] synonym: "Ammoniumchlorid" RELATED [NIST Chemistry WebBook:] synonym: "NH4Cl" RELATED [IUPAC:] synonym: "[NH4]Cl" RELATED [IUPAC:] synonym: "ammonium chloride" EXACT IUPAC_NAME [IUPAC:] synonym: "Ammonium chloride" EXACT [KEGG COMPOUND:] synonym: "ClH4N" RELATED FORMULA [ChEBI:] synonym: "Cl.H4N" RELATED FORMULA [KEGG COMPOUND:] synonym: "[Cl-].[H][N+]([H])([H])[H]" RELATED SMILES [ChEBI:] synonym: "InChI=1S/ClH.H3N/h1H;1H3" RELATED InChI [ChEBI:] synonym: "InChIKey=NLXLAEXVIDQMFP-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: Gmelin:10120 "Gmelin Registry Number" xref: KEGG COMPOUND:12125-02-9 "CAS Registry Number" xref: NIST Chemistry WebBook:12125-02-9 "CAS Registry Number" xref: KEGG COMPOUND:C12538 "KEGG COMPOUND" xref: ChemIDplus:12125-02-9 "CAS Registry Number" xref: Wikipedia:Ammonium_Chloride "Wikipedia" is_a: CHEBI:36093 is_a: CHEBI:47704 [Term] id: CHEBI:3312 name: calcium dichloride def: "A calcium salt that has formula CaCl2." [] synonym: "Calcium chloride anhydrous" RELATED [KEGG COMPOUND:] synonym: "CaCl2" RELATED [IUPAC:] synonym: "[CaCl2]" RELATED [MolBase:] synonym: "calcium chloride anhydrous" RELATED [ChemIDplus:] synonym: "calcium chloride" EXACT IUPAC_NAME [IUPAC:] synonym: "calcium dichloride" EXACT IUPAC_NAME [IUPAC:] synonym: "CaCl2" RELATED FORMULA [KEGG COMPOUND:] synonym: "[Cl-].[Cl-].[Ca++]" RELATED SMILES [ChEBI:] synonym: "InChI=1S/Ca.2ClH/h;2*1H/q+2;;/p-2" RELATED InChI [ChEBI:] synonym: "InChIKey=UXVMQQNJUSDDNG-UHFFFAOYSA-L" RELATED InChIKey [ChEBI:] xref: MolBase:1869 "MolBase" xref: KEGG COMPOUND:10043-52-4 "CAS Registry Number" xref: NIST Chemistry WebBook:10043-52-4 "CAS Registry Number" xref: Wikipedia:Calcium_Chloride "Wikipedia" xref: KEGG COMPOUND:C08130 "KEGG COMPOUND" xref: ChemIDplus:10043-52-4 "CAS Registry Number" xref: DrugBank:DB01164 "DrugBank" is_a: CHEBI:35156 is_a: CHEBI:36093 [Term] id: CHEBI:26710 name: sodium chloride def: "An inorganic chloride salt having sodium(1+) as the counterion." [] synonym: "common salt" RELATED [ChemIDplus:] synonym: "chlorure de sodium" RELATED [ChEBI:] synonym: "sodium chloride" EXACT IUPAC_NAME [IUPAC:] synonym: "table salt" RELATED [ChemIDplus:] synonym: "sodium chloride" EXACT [ChEBI:] synonym: "halite" RELATED [NIST Chemistry WebBook:] synonym: "rock salt" RELATED [ChemIDplus:] synonym: "Kochsalz" RELATED [ChEBI:] synonym: "NaCl" RELATED [IUPAC:] synonym: "salt" RELATED [ChemIDplus:] synonym: "Natriumchlorid" RELATED [NIST Chemistry WebBook:] synonym: "natrii chloridum" RELATED [ChEBI:] synonym: "cloruro sodico" RELATED [ChEBI:] synonym: "ClNa" RELATED FORMULA [NIST Chemistry WebBook:] synonym: "[Na+].[Cl-]" RELATED SMILES [ChEBI:] synonym: "InChI=1S/ClH.Na/h1H;/q;+1/p-1" RELATED InChI [ChEBI:] synonym: "InChIKey=FAPWRFPIFSIZLT-UHFFFAOYSA-M" RELATED InChIKey [ChEBI:] xref: Gmelin:13673 "Gmelin Registry Number" xref: Wikipedia:Sodium_Chloride "Wikipedia" xref: KEGG COMPOUND:C13563 "KEGG COMPOUND" xref: NIST Chemistry WebBook:7647-14-5 "CAS Registry Number" xref: Reaxys:3534976 "Reaxys Registry Number" xref: ChemIDplus:7647-14-5 "CAS Registry Number" xref: MetaCyc:NACL "MetaCyc" xref: Beilstein:3534976 "Beilstein Registry Number" xref: KEGG DRUG:D02056 "KEGG DRUG" is_a: CHEBI:36093 is_a: CHEBI:38702 [Term] id: CHEBI:46715 name: halite synonym: "Halit" RELATED [ChEBI:] synonym: "Steinsalz" RELATED [ChEBI:] synonym: "halite" EXACT [ChemIDplus:] synonym: "ClNa" RELATED FORMULA [ChEBI:] xref: NIST Chemistry WebBook:14762-51-7 "CAS Registry Number" xref: Gmelin:74542 "Gmelin Registry Number" xref: Gmelin:339371 "Gmelin Registry Number" is_a: CHEBI:46714 is_a: CHEBI:26710 [Term] id: CHEBI:30341 name: silver monochloride def: "A silver salt that has formula AgCl." [] synonym: "AgCl" RELATED [IUPAC:] synonym: "Silver chloride" RELATED [NIST Chemistry WebBook:] synonym: "silver monochloride" EXACT IUPAC_NAME [IUPAC:] synonym: "silver(1+) chloride" EXACT IUPAC_NAME [IUPAC:] synonym: "silver(I) chloride" EXACT IUPAC_NAME [IUPAC:] synonym: "[AgCl]" RELATED [MolBase:] synonym: "AgCl" RELATED FORMULA [ChEBI:] synonym: "[Cl-].[Ag+]" RELATED SMILES [ChEBI:] synonym: "InChI=1S/Ag.ClH/h;1H/q+1;/p-1" RELATED InChI [ChEBI:] synonym: "InChIKey=HKZLPVFGJNLROG-UHFFFAOYSA-M" RELATED InChIKey [ChEBI:] xref: ChemIDplus:7783-90-6 "CAS Registry Number" xref: NIST Chemistry WebBook:7783-90-6 "CAS Registry Number" xref: MolBase:739 "MolBase" xref: Gmelin:122614 "Gmelin Registry Number" is_a: CHEBI:33968 is_a: CHEBI:36093 [Term] id: CHEBI:32588 name: potassium chloride def: "A metal chloride salt with a K(+) counterion." [] synonym: "Klor-con" RELATED BRAND_NAME [KEGG DRUG:] synonym: "Klotrix" RELATED BRAND_NAME [KEGG DRUG:] synonym: "[KCl]" RELATED [MolBase:] synonym: "potassium chloride" EXACT IUPAC_NAME [IUPAC:] synonym: "Monopotassium chloride" RELATED [DrugBank:] synonym: "KCl" RELATED [IUPAC:] synonym: "sylvite" RELATED [ChEBI:] synonym: "muriate of potash" RELATED [NIST Chemistry WebBook:] synonym: "Kaliumchlorid" RELATED [ChEBI:] synonym: "Kaon-Cl 10" RELATED BRAND_NAME [KEGG DRUG:] synonym: "ClK" RELATED FORMULA [ChEBI:] synonym: "[Cl-].[K+]" RELATED SMILES [ChEBI:] synonym: "InChI=1S/ClH.K/h1H;/q;+1/p-1" RELATED InChI [ChEBI:] synonym: "InChIKey=WCUXLLCKKVVCTQ-UHFFFAOYSA-M" RELATED InChIKey [ChEBI:] xref: Reaxys:3534978 "Reaxys Registry Number" xref: MolBase:881 "MolBase" xref: DrugBank:DB00761 "DrugBank" xref: Wikipedia:Potassium_Chloride "Wikipedia" xref: NIST Chemistry WebBook:7447-40-7 "CAS Registry Number" xref: KEGG DRUG:D02060 "KEGG DRUG" xref: MetaCyc:KCL "MetaCyc" xref: ChemIDplus:7447-40-7 "CAS Registry Number" is_a: CHEBI:26218 is_a: CHEBI:36093 [Term] id: CHEBI:35696 name: cobalt dichloride def: "Chloride of cobalt in which the metal is in the +2 oxidation state." [] synonym: "cobalt(2+) chloride" EXACT IUPAC_NAME [IUPAC:] synonym: "cobaltous chloride anhydrous" RELATED [NIST Chemistry WebBook:] synonym: "cobaltous dichloride" RELATED [ChemIDplus:] synonym: "cobalt dichloride" EXACT IUPAC_NAME [IUPAC:] synonym: "cobalt muriate" RELATED [ChemIDplus:] synonym: "cobalt chloride" RELATED [ChEBI:] synonym: "Kobaltdichlorid" RELATED [ChEBI:] synonym: "Kobalt chlorid" RELATED [ChemIDplus:] synonym: "cobaltous chloride" RELATED [ChemIDplus:] synonym: "CoCl2" RELATED [IUPAC:] synonym: "Kobalt(II)-chlorid" RELATED [ChEBI:] synonym: "cobalt(II) chloride" EXACT IUPAC_NAME [IUPAC:] synonym: "dichlorocobalt" RELATED [ChemIDplus:] synonym: "Cl2Co" RELATED FORMULA [ChEBI:] synonym: "[Cl-].[Cl-].[Co++]" RELATED SMILES [ChEBI:] synonym: "InChI=1S/2ClH.Co/h2*1H;/q;;+2/p-2" RELATED InChI [ChEBI:] synonym: "InChIKey=GVPFVAHMJGGAJG-UHFFFAOYSA-L" RELATED InChIKey [ChEBI:] xref: CiteXplore:11207315 "PubMed citation" xref: Gmelin:9298 "Gmelin Registry Number" xref: CiteXplore:8566016 "PubMed citation" xref: CiteXplore:16426290 "PubMed citation" xref: NIST Chemistry WebBook:7646-79-9 "CAS Registry Number" xref: CiteXplore:1108802 "PubMed citation" xref: Beilstein:3902826 "Beilstein Registry Number" xref: Wikipedia:Cobalt(II)_chloride "Wikipedia" xref: CiteXplore:21616561 "PubMed citation" xref: CiteXplore:18837732 "PubMed citation" xref: CiteXplore:7615984 "PubMed citation" xref: ChemIDplus:7646-79-9 "CAS Registry Number" relationship: has_part CHEBI:48828 is_a: CHEBI:35698 is_a: CHEBI:36093 [Term] id: CHEBI:53503 name: cobalt chloride hexahydrate def: "A hydrate of cobalt chloride containing cobalt (in +2 oxidation state), chloride and water moieties in the ratio 1:2:6." [] synonym: "Cobalt(II) chloride--water (1/7)" EXACT IUPAC_NAME [IUPAC:] synonym: "Cobalt(II) chloride hexahydrate" RELATED [ChemIDplus:] synonym: "Cobalt chloride hexahydrate" EXACT [ChemIDplus:] synonym: "Cobalt dichloride hexahydrate" RELATED [ChemIDplus:] synonym: "cobalt(2+) dichloride hexahydrate" EXACT IUPAC_NAME [IUPAC:] synonym: "Cl2CoH12O6" RELATED FORMULA [ChEBI:] synonym: "O.O.O.O.O.O.[Cl-].[Cl-].[Co++]" RELATED SMILES [ChEBI:] synonym: "InChI=1S/2ClH.Co.6H2O/h2*1H;;6*1H2/q;;+2;;;;;;/p-2" RELATED InChI [ChEBI:] synonym: "InChIKey=GFHNAMRJFCEERV-UHFFFAOYSA-L" RELATED InChIKey [ChEBI:] xref: CiteXplore:11207315 "PubMed citation" xref: Gmelin:16833 "Gmelin Registry Number" xref: ChemIDplus:7791-13-1 "CAS Registry Number" is_a: CHEBI:35505 relationship: has_part CHEBI:35696 [Term] id: CHEBI:36383 name: strontium dichloride def: "A strontium salt that has formula Cl2Sr." [] synonym: "SrCl2" RELATED [IUPAC:] synonym: "strontium chloride" EXACT IUPAC_NAME [IUPAC:] synonym: "strontium dichloride" EXACT IUPAC_NAME [IUPAC:] synonym: "Cl2Sr" RELATED FORMULA [ChEBI:] synonym: "[Cl-].[Cl-].[Sr++]" RELATED SMILES [ChEBI:] synonym: "InChI=1S/2ClH.Sr/h2*1H;/q;;+2/p-2" RELATED InChI [ChEBI:] synonym: "InChIKey=AHBGXTDRMVNFER-UHFFFAOYSA-L" RELATED InChIKey [ChEBI:] xref: Gmelin:463924 "Gmelin Registry Number" xref: NIST Chemistry WebBook:10476-85-4 "CAS Registry Number" xref: ChemIDplus:10476-85-4 "CAS Registry Number" is_a: CHEBI:36093 is_a: CHEBI:36384 [Term] id: CHEBI:36385 name: strontium dichloride hexahydrate def: "A strontium salt that has formula Cl2H12O6Sr." [] synonym: "strontium dichloride hexahydrate" EXACT IUPAC_NAME [IUPAC:] synonym: "strontium dichloride--water (1/6)" EXACT IUPAC_NAME [IUPAC:] synonym: "SrCl2.6H2O" RELATED [IUPAC:] synonym: "strontium chloride hexahydrate" RELATED [ChemIDplus:] synonym: "Cl2H12O6Sr" RELATED FORMULA [ChEBI:] synonym: "[H]O[H].[H]O[H].[H]O[H].[H]O[H].[H]O[H].[H]O[H].Cl[Sr]Cl" RELATED SMILES [ChEBI:] synonym: "InChI=1S/2ClH.6H2O.Sr/h2*1H;6*1H2;/q;;;;;;;;+2/p-2" RELATED InChI [ChEBI:] synonym: "InChIKey=AMGRXJSJSONEEG-UHFFFAOYSA-L" RELATED InChIKey [ChEBI:] xref: ChemIDplus:10025-70-4 "CAS Registry Number" is_a: CHEBI:36384 relationship: has_part CHEBI:36383 is_a: CHEBI:35505 [Term] id: CHEBI:37117 name: thallium monochloride def: "A thallium molecular entity that has formula ClTl." [] synonym: "thallium(I) chloride" EXACT IUPAC_NAME [IUPAC:] synonym: "TlCl" RELATED [IUPAC:] synonym: "[TlCl]" RELATED [ChEBI:] synonym: "thallium(1+) chloride" EXACT IUPAC_NAME [IUPAC:] synonym: "chloridothallium" EXACT IUPAC_NAME [IUPAC:] synonym: "thallous chloride" RELATED [NIST Chemistry WebBook:] synonym: "thallium chloride" RELATED [ChemIDplus:] synonym: "thallium monochloride" EXACT IUPAC_NAME [IUPAC:] synonym: "ClTl" RELATED FORMULA [ChEBI:] synonym: "Cl[Tl]" RELATED SMILES [ChEBI:] synonym: "InChI=1S/ClH.Tl/h1H;/q;+1/p-1" RELATED InChI [ChEBI:] synonym: "InChIKey=GBECUEIQVRDUKB-UHFFFAOYSA-M" RELATED InChIKey [ChEBI:] xref: Gmelin:25486 "Gmelin Registry Number" xref: NIST Chemistry WebBook:7791-12-0 "CAS Registry Number" xref: ChemIDplus:7791-12-0 "CAS Registry Number" xref: Gmelin:13669 "Gmelin Registry Number" is_a: CHEBI:37110 is_a: CHEBI:36093 [Term] id: CHEBI:32213 name: ((201)Tl)thallium monochloride def: "A thallium monochloride that has formula ClTl." [] synonym: "thallium-201 chloride" RELATED [ChemIDplus:] synonym: "(201)TlCl" RELATED [IUPAC:] synonym: "((201)Tl)thallium(I) chloride" EXACT IUPAC_NAME [IUPAC:] synonym: "((201)Tl)thallium(1+) chloride" EXACT IUPAC_NAME [IUPAC:] synonym: "ClTl" RELATED FORMULA [ChEBI:] synonym: "Tl.Cl" RELATED FORMULA [KEGG DRUG:] synonym: "Cl[201Tl]" RELATED SMILES [ChEBI:] synonym: "InChI=1S/ClH.Tl/h1H;/q;+1/p-1/i;1-3" RELATED InChI [ChEBI:] synonym: "InChIKey=GBECUEIQVRDUKB-RYDPDVNUSA-M" RELATED InChIKey [ChEBI:] xref: KEGG DRUG:D02402 "KEGG DRUG" xref: ChemIDplus:55172-29-7 "CAS Registry Number" is_a: CHEBI:37117 relationship: has_part CHEBI:37804 [Term] id: CHEBI:48607 name: lithium chloride def: "A metal chloride salt with a Li(+) counterion." [] synonym: "chlorure de lithium" RELATED [NIST Chemistry WebBook:] synonym: "LiCl" RELATED [IUPAC:] synonym: "lithii chloridum" RELATED [ChEBI:] synonym: "Lithiumchlorid" RELATED [ChEBI:] synonym: "lithium chloride" EXACT IUPAC_NAME [IUPAC:] synonym: "cloruro de litio" RELATED [ChEBI:] synonym: "ClLi" RELATED FORMULA [ChEBI:] synonym: "[Li+].[Cl-]" RELATED SMILES [ChEBI:] synonym: "InChI=1S/ClH.Li/h1H;/q;+1/p-1" RELATED InChI [ChEBI:] synonym: "InChIKey=KWGKDLIKAYFUFQ-UHFFFAOYSA-M" RELATED InChIKey [ChEBI:] xref: ChemIDplus:7447-41-8 "CAS Registry Number" xref: NIST Chemistry WebBook:7447-41-8 "CAS Registry Number" is_a: CHEBI:36093 relationship: has_role CHEBI:35477 is_a: CHEBI:35478 [Term] id: CHEBI:49976 name: zinc dichloride def: "A compound of zinc and chloride ions in the ratio 1:2. It exists in four crystalline forms, in each of which the Zn(2+) ions are trigonal planar coordinated to four chloride ions." [] synonym: "Zinkchlorid" RELATED [ChemIDplus:] synonym: "butter of zinc" RELATED [ChemIDplus:] synonym: "ZnCl2" RELATED [IUPAC:] synonym: "zinc(2+) chloride" EXACT IUPAC_NAME [IUPAC:] synonym: "zinc dichloride" EXACT IUPAC_NAME [IUPAC:] synonym: "chlorure de zinc" RELATED [ChemIDplus:] synonym: "zinc(II) chloride" EXACT IUPAC_NAME [IUPAC:] synonym: "zinc chloride, anhydrous" RELATED [NIST Chemistry WebBook:] synonym: "zinc chloride" RELATED [ChemIDplus:] synonym: "dichlorozinc" RELATED [NIST Chemistry WebBook:] synonym: "Cl2Zn" RELATED FORMULA [ChEBI:] synonym: "[Cl-].[Cl-].[Zn++]" RELATED SMILES [ChEBI:] synonym: "InChI=1S/2ClH.Zn/h2*1H;/q;;+2/p-2" RELATED InChI [ChEBI:] synonym: "InChIKey=JIAARYAFYJHUJI-UHFFFAOYSA-L" RELATED InChIKey [ChEBI:] xref: Gmelin:430396 "Gmelin Registry Number" xref: ChemIDplus:7646-85-7 "CAS Registry Number" xref: KEGG DRUG:D02058 "KEGG DRUG" xref: MolBase:1125 "MolBase" xref: Wikipedia:Zinc_Chloride "Wikipedia" xref: CiteXplore:7615984 "PubMed citation" xref: NIST Chemistry WebBook:7646-85-7 "CAS Registry Number" is_a: CHEBI:36093 is_a: CHEBI:27364 [Term] id: CHEBI:49553 name: copper(II) chloride def: "Chloride of copper in which the metal is in the +2 oxidation state." [] synonym: "copper(2+) dichloride" EXACT IUPAC_NAME [IUPAC:] synonym: "Cupric chloride" RELATED [ChemIDplus:] synonym: "Copper bichloride" RELATED [ChemIDplus:] synonym: "Copper(2+)chloride" RELATED [ChemIDplus:] synonym: "copper dichloride" EXACT IUPAC_NAME [IUPAC:] synonym: "Copper dichloride" RELATED [ChemIDplus:] synonym: "Cupric dichloride" RELATED [ChemIDplus:] synonym: "copper(II) chloride" EXACT IUPAC_NAME [IUPAC:] synonym: "Cupric chloride anhydrous" RELATED [ChemIDplus:] synonym: "Copper chloride" RELATED [ChemIDplus:] synonym: "Copper chloride (CuCl2)" RELATED [ChemIDplus:] synonym: "Coclor" RELATED [NIST Chemistry WebBook:] synonym: "Copper(II) chloride dihydrate" RELATED [NIST Chemistry WebBook:] synonym: "Copper(II) chloride (1:2)" RELATED [ChemIDplus:] synonym: "Copper(II) chloride" EXACT [ChemIDplus:] synonym: "CuCl2" RELATED [NIST Chemistry WebBook:] synonym: "Coppertrace" RELATED [NIST Chemistry WebBook:] synonym: "Copper(2+) chloride" RELATED [NIST Chemistry WebBook:] synonym: "Cupric chloride dihydrate" RELATED [NIST Chemistry WebBook:] synonym: "Cl2Cu" RELATED FORMULA [ChEBI:] synonym: "Cl[Cu]Cl" RELATED SMILES [ChEBI:] synonym: "InChI=1S/2ClH.Cu/h2*1H;/q;;+2/p-2" RELATED InChI [ChEBI:] synonym: "InChIKey=ORTQZVOHEJQUHG-UHFFFAOYSA-L" RELATED InChIKey [ChEBI:] xref: Gmelin:9300 "Gmelin Registry Number" xref: ChemIDplus:7447-39-4 "CAS Registry Number" xref: CiteXplore:10444249 "PubMed citation" xref: Beilstein:8128168 "Beilstein Registry Number" xref: PDBeChem:CUL "PDBeChem" xref: Wikipedia:Cupric_Chloride "Wikipedia" xref: NIST Chemistry WebBook:7447-39-4 "CAS Registry Number" is_a: CHEBI:36093 relationship: has_part CHEBI:29036 [Term] id: CHEBI:53472 name: copper(I) chloride def: "Chloride of copper in which the metal is in the +1 oxidation state." [] synonym: "CuCl" RELATED [NIST Chemistry WebBook:] synonym: "Dicopper dichloride" RELATED [ChemIDplus:] synonym: "Copper monochloride" RELATED [ChemIDplus:] synonym: "Cuprous chloride" RELATED [ChemIDplus:] synonym: "Cu-lyt" RELATED [NIST Chemistry WebBook:] synonym: "copper(1+) chloride" EXACT IUPAC_NAME [IUPAC:] synonym: "Copper chloride" RELATED [ChemIDplus:] synonym: "Copper(I) chloride" EXACT [ChemIDplus:] synonym: "Cuproid" RELATED [NIST Chemistry WebBook:] synonym: "Copper(1+) chloride" RELATED [ChemIDplus:] synonym: "copper(I) chloride" EXACT IUPAC_NAME [IUPAC:] synonym: "Copper chloride (CuCl)" RELATED [ChemIDplus:] synonym: "ClCu" RELATED FORMULA [ChEBI:] synonym: "Cl[Cu]" RELATED SMILES [ChEBI:] synonym: "InChI=1S/ClH.Cu/h1H;/q;+1/p-1" RELATED InChI [ChEBI:] synonym: "InChIKey=OXBLHERUFWYNTN-UHFFFAOYSA-M" RELATED InChIKey [ChEBI:] xref: ChemIDplus:7758-89-6 "CAS Registry Number" xref: Gmelin:13676 "Gmelin Registry Number" xref: NIST Chemistry WebBook:7758-89-6 "CAS Registry Number" xref: CiteXplore:10444249 "PubMed citation" xref: Beilstein:8127933 "Beilstein Registry Number" is_a: CHEBI:36093 relationship: has_part CHEBI:49552 relationship: has_role CHEBI:33904 relationship: has_role CHEBI:33286 [Term] id: CHEBI:62843 name: beryllium dichloride def: "A compound of beryllium (+2 oxidation state) and chloride in the ratio 1:2." [] synonym: "beryllium dichloride" EXACT IUPAC_NAME [IUPAC:] synonym: "BeCl2" RELATED [ChEBI:] synonym: "Beryllium chloride" RELATED [ChemIDplus:] synonym: "BeCl2" RELATED FORMULA [ChEBI:] synonym: "Cl[Be]Cl" RELATED SMILES [ChEBI:] synonym: "InChI=1S/Be.2ClH/h;2*1H/q+2;;/p-2" RELATED InChI [ChEBI:] synonym: "InChIKey=LWBPNIJBHRISSS-UHFFFAOYSA-L" RELATED InChIKey [ChEBI:] xref: CiteXplore:21210824 "PubMed citation" xref: CiteXplore:18217749 "PubMed citation" xref: CiteXplore:20981383 "PubMed citation" xref: CiteXplore:17567115 "PubMed citation" xref: CiteXplore:1723493 "PubMed citation" xref: ChemIDplus:7787-47-5 "CAS Registry Number" xref: NIST Chemistry WebBook:7787-47-5 "CAS Registry Number" xref: CiteXplore:18373946 "PubMed citation" xref: CiteXplore:3438228 "PubMed citation" xref: CiteXplore:7770008 "PubMed citation" xref: CiteXplore:18651739 "PubMed citation" xref: CiteXplore:1287261 "PubMed citation" xref: Wikipedia:Beryllium_chloride "Wikipedia" xref: CiteXplore:4549042 "PubMed citation" xref: CiteXplore:21196457 "PubMed citation" xref: Reaxys:10773355 "Reaxys Registry Number" xref: CiteXplore:2109906 "PubMed citation" xref: CiteXplore:8720934 "PubMed citation" is_a: CHEBI:33780 is_a: CHEBI:36093 relationship: has_role CHEBI:50903 relationship: has_role CHEBI:50902 [Term] id: CHEBI:63020 name: yttrium chloride def: "The inorganic chloride salt of yttrium(III)" [] synonym: "yttrium(III) chloride" RELATED [SUBMITTER:] synonym: "yttrium trichloride" RELATED [ChEBI:] synonym: "YCl3" RELATED [ChEBI:] synonym: "Cl3Y" RELATED FORMULA [ChEBI:] synonym: "[Cl-].[Cl-].[Cl-].[Y+3]" RELATED SMILES [ChEBI:] synonym: "InChI=1S/3ClH.Y/h3*1H;/q;;;+3/p-3" RELATED InChI [ChEBI:] synonym: "InChIKey=PCMOZDDGXKIOLL-UHFFFAOYSA-K" RELATED InChIKey [ChEBI:] xref: Reaxys:3660161 "Reaxys Registry Number" xref: ChemIDplus:10361-92-9 "CAS Registry Number" xref: Wikipedia:Yttrium(III)_chloride "Wikipedia" is_a: CHEBI:36093 is_a: CHEBI:37203 relationship: has_role CHEBI:35223 [Term] id: CHEBI:63039 name: caesium chloride def: "The inorganic chloride salt of caesium; each caesium ion is coordinated by eight chlorine ions." [] synonym: "caesium monochloride" RELATED [ChEBI:] synonym: "cesium(I) chloride" RELATED [ChEBI:] synonym: "cesium chloride" RELATED [SUBMITTER:] synonym: "Cesium monochloride" RELATED [ChemIDplus:] synonym: "caesium(I) chloride" RELATED [ChEBI:] synonym: "caesium chloride" EXACT IUPAC_NAME [IUPAC:] synonym: "Tricesium trichloride" RELATED [ChemIDplus:] synonym: "ClCs" RELATED FORMULA [ChEBI:] synonym: "[Cl-].[Cs+]" RELATED SMILES [ChEBI:] synonym: "InChI=1S/ClH.Cs/h1H;/q;+1/p-1" RELATED InChI [ChEBI:] synonym: "InChIKey=AIYUHDOJVYHVIT-UHFFFAOYSA-M" RELATED InChIKey [ChEBI:] xref: CiteXplore:11058836 "PubMed citation" xref: Reaxys:3534981 "Reaxys Registry Number" xref: Wikipedia:Cesium_chloride "Wikipedia" xref: ChemIDplus:7647-17-8 "CAS Registry Number" xref: NIST Chemistry WebBook:7647-17-8 "CAS Registry Number" xref: CiteXplore:698485 "PubMed citation" is_a: CHEBI:36093 is_a: CHEBI:37128 relationship: has_role CHEBI:63060 relationship: has_role CHEBI:50514 [Term] id: CHEBI:63041 name: manganese(II) chloride def: "A manganese coordination entity in which manganese(II) is coordinated to two chloride ions. In its anhydrous state manganese(II) chloride is a polymeric solid, which adopts a layered cadmium chloride-like structure." [] synonym: "Manganese(II) chloride (1:2)" RELATED [ChemIDplus:] synonym: "manganese(II) dichloride" RELATED [ChEBI:] synonym: "manganous dichloride" RELATED [NIST Chemistry WebBook:] synonym: "manganese(2+) dichloride" EXACT IUPAC_NAME [IUPAC:] synonym: "manganous chloride" RELATED [SUBMITTER:] synonym: "Manganous chloride" RELATED [ChemIDplus:] synonym: "dichlorure de manganese" RELATED [ChEBI:] synonym: "Mangandichlorid" RELATED [ChEBI:] synonym: "Manganese bichloride" RELATED [ChemIDplus:] synonym: "Cl2Mn" RELATED FORMULA [ChEBI:] synonym: "Cl[Mn]Cl" RELATED SMILES [ChEBI:] synonym: "InChI=1S/2ClH.Mn/h2*1H;/q;;+2/p-2" RELATED InChI [ChEBI:] synonym: "InChIKey=GLFNIEUTAYBVOC-UHFFFAOYSA-L" RELATED InChIKey [ChEBI:] xref: Reaxys:8128170 "Reaxys Registry Number" xref: ChemIDplus:7773-01-5 "CAS Registry Number" xref: CiteXplore:4476198 "PubMed citation" xref: CiteXplore:146543 "PubMed citation" xref: NIST Chemistry WebBook:7773-01-5 "CAS Registry Number" xref: CiteXplore:98204 "PubMed citation" xref: Wikipedia:Manganese(II)_chloride "Wikipedia" xref: CiteXplore:101555 "PubMed citation" xref: CiteXplore:4771199 "PubMed citation" xref: CiteXplore:3143594 "PubMed citation" is_a: CHEBI:35117 is_a: CHEBI:36093 [Term] id: CHEBI:63317 name: barium chloride def: "The inorganic dichloride salt of barium." [] synonym: "BaCl2" RELATED [MetaCyc:] synonym: "barium dichloride" EXACT IUPAC_NAME [IUPAC:] synonym: "BaCl2" RELATED FORMULA [ChEBI:] synonym: "[Cl-].[Cl-].[Ba++]" RELATED SMILES [ChEBI:] synonym: "InChI=1S/Ba.2ClH/h;2*1H/q+2;;/p-2" RELATED InChI [ChEBI:] synonym: "InChIKey=WDIHJSXYQDMJHN-UHFFFAOYSA-L" RELATED InChIKey [ChEBI:] xref: Wikipedia:Barium_chloride "Wikipedia" xref: ChemIDplus:10361-37-2 "CAS Registry Number" xref: CiteXplore:21601246 "PubMed citation" xref: Reaxys:1209229 "Reaxys Registry Number" xref: NIST Chemistry WebBook:10361-37-2 "CAS Registry Number" xref: Reaxys:8128158 "Reaxys Registry Number" xref: MetaCyc:CPD0-1592 "MetaCyc" is_a: CHEBI:36093 is_a: CHEBI:63320 relationship: has_role CHEBI:50509 [Term] id: CHEBI:67096 name: ytterbium(III) chloride def: "The trichloride salt of ytterbium(III)." [] synonym: "ytterbium(3+) trichloride" EXACT IUPAC_NAME [IUPAC:] synonym: "Ytterbium chloride" RELATED [ChemIDplus:] synonym: "Ytterbium trichloride" RELATED [ChemIDplus:] synonym: "Cl3Yb" RELATED FORMULA [ChEBI:] synonym: "[Cl-].[Cl-].[Cl-].[Yb+3]" RELATED SMILES [ChEBI:] synonym: "InChI=1S/3ClH.Yb/h3*1H;/q;;;+3/p-3" RELATED InChI [ChEBI:] synonym: "InChIKey=CKLHRQNQYIJFFX-UHFFFAOYSA-K" RELATED InChIKey [ChEBI:] xref: Wikipedia:Ytterbium(III)_chloride "Wikipedia" xref: Reaxys:16120858 "Reaxys Registry Number" xref: NIST Chemistry WebBook:10361-91-8 "CAS Registry Number" xref: ChemIDplus:10361-91-8 "CAS Registry Number" is_a: CHEBI:36093 relationship: has_part CHEBI:49980 relationship: has_role CHEBI:67137 [Term] id: CHEBI:36094 name: organic chloride salt synonym: "organic chloride salts" RELATED [ChEBI:] is_a: CHEBI:23114 is_a: CHEBI:51069 [Term] id: CHEBI:36807 name: hydrochloride def: "A salt formally resulting from the reaction of hydrochloric acid with an organic base." [] synonym: "Hydrochlorid" RELATED [ChEBI:] synonym: "hydrochlorides" RELATED [ChEBI:] synonym: "hydrochloride salts" RELATED [ChEBI:] is_a: CHEBI:36094 [Term] id: CHEBI:36808 name: duloxetine hydrochloride def: "A hydrochloride that has formula C18H20ClNOS." [] synonym: "N-methyl-3-(1-naphthyloxy)-3-(2-thienyl)propan-1-amine hydrochloride" RELATED [IUPAC:] synonym: "N-methyl-3-(naphthalen-1-yloxy)-3-(2-thienyl)propan-1-amine hydrochloride" EXACT IUPAC_NAME [IUPAC:] synonym: "C18H20ClNOS" RELATED FORMULA [ChEBI:] synonym: "Cl.CNCCC(Oc1cccc2ccccc12)c1cccs1" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C18H19NOS.ClH/c1-19-12-11-17(18-10-5-13-21-18)20-16-9-4-7-14-6-2-3-8-15(14)16;/h2-10,13,17,19H,11-12H2,1H3;1H" RELATED InChI [ChEBI:] synonym: "InChIKey=BFFSMCNJSOPUAY-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] is_a: CHEBI:36807 relationship: has_part CHEBI:36796 [Term] id: CHEBI:36806 name: (R)-duloxetine hydrochloride def: "A duloxetine hydrochloride that has formula C18H20ClNOS." [] synonym: "(3R)-N-methyl-3-(1-naphthyloxy)-3-(2-thienyl)propan-1-amine hydrochloride" RELATED [IUPAC:] synonym: "(3R)-N-methyl-3-(naphthalen-1-yloxy)-3-(2-thienyl)propan-1-amine hydrochloride" EXACT IUPAC_NAME [IUPAC:] synonym: "C18H20ClNOS" RELATED FORMULA [ChEBI:] synonym: "Cl.CNCC[C@@H](Oc1cccc2ccccc12)c1cccs1" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C18H19NOS.ClH/c1-19-12-11-17(18-10-5-13-21-18)20-16-9-4-7-14-6-2-3-8-15(14)16;/h2-10,13,17,19H,11-12H2,1H3;1H/t17-;/m1./s1" RELATED InChI [ChEBI:] synonym: "InChIKey=BFFSMCNJSOPUAY-UNTBIKODSA-N" RELATED InChIKey [ChEBI:] xref: Beilstein:9958563 "Beilstein Registry Number" is_a: CHEBI:36808 relationship: has_part CHEBI:36797 [Term] id: CHEBI:31526 name: (S)-duloxetine hydrochloride def: "A duloxetine hydrochloride in which the duloxetine moiety has S configuration." [] synonym: "duloxetine hydrochloride" RELATED [ChemIDplus:] synonym: "Cymbalta" RELATED [ChemIDplus:] synonym: "(3S)-N-methyl-3-(1-naphthyloxy)-3-(2-thienyl)propan-1-amine hydrochloride" RELATED [IUPAC:] synonym: "(3S)-N-methyl-3-(naphthalen-1-yloxy)-3-(2-thienyl)propan-1-amine hydrochloride" EXACT IUPAC_NAME [IUPAC:] synonym: "C18H19NOS.HCl" RELATED FORMULA [KEGG DRUG:] synonym: "C18H20ClNOS" RELATED FORMULA [ChEBI:] synonym: "Cl.CNCC[C@H](Oc1cccc2ccccc12)c1cccs1" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C18H19NOS.ClH/c1-19-12-11-17(18-10-5-13-21-18)20-16-9-4-7-14-6-2-3-8-15(14)16;/h2-10,13,17,19H,11-12H2,1H3;1H/t17-;/m0./s1" RELATED InChI [ChEBI:] synonym: "InChIKey=BFFSMCNJSOPUAY-LMOVPXPDSA-N" RELATED InChIKey [ChEBI:] xref: Beilstein:8168890 "Beilstein Registry Number" xref: KEGG DRUG:D01179 "KEGG DRUG" xref: Reaxys:8168890 "Reaxys Registry Number" xref: ChemIDplus:136434-34-9 "CAS Registry Number" relationship: has_role CHEBI:35469 is_a: CHEBI:36808 relationship: has_part CHEBI:36795 [Term] id: CHEBI:31519 name: dothiepin hydrochloride def: "A tricyclic antidepressant that has formula C19H22NS.Cl." [] synonym: "dosulepin chloride" RELATED [ChemIDplus:] synonym: "Prothiaden" RELATED [ChemIDplus:] synonym: "3-dibenzo[b,e]thiepin-11(6H)-ylidene-N,N-dimethylpropan-1-amine hydrochloride" EXACT IUPAC_NAME [IUPAC:] synonym: "dosulepin hydrochloride" RELATED [ChemIDplus:] synonym: "dothiepin hydrochloride" EXACT [ChemIDplus:] synonym: "C19H22NS.Cl" RELATED FORMULA [KEGG DRUG:] synonym: "C19H22ClNS" RELATED FORMULA [ChEBI:] synonym: "[Cl-].[H]C(CC[N+]([H])(C)C)=C1c2ccccc2CSc2ccccc12" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C19H21NS.ClH/c1-20(2)13-7-11-17-16-9-4-3-8-15(16)14-21-19-12-6-5-10-18(17)19;/h3-6,8-12H,7,13-14H2,1-2H3;1H" RELATED InChI [ChEBI:] synonym: "InChIKey=XUPZAARQDNSRJB-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: KEGG DRUG:D01546 "KEGG DRUG" xref: ChemIDplus:897-15-4 "CAS Registry Number" xref: Beilstein:4339832 "Beilstein Registry Number" relationship: has_part CHEBI:36798 is_a: CHEBI:36809 is_a: CHEBI:36807 [Term] id: CHEBI:36804 name: cis-dothiepin hydrochloride def: "A dothiepin hydrochloride that has formula C19H22ClNS." [] synonym: "cis-11-(3-dimethylaminopropylidene)-6,11-dihydrodibenzo(b,e)thiepin hydrochloride" RELATED [ChemIDplus:] synonym: "(3Z)-3-dibenzo[b,e]thiepin-11(6H)-ylidene-N,N-dimethylpropan-1-amine hydrochloride" EXACT IUPAC_NAME [IUPAC:] synonym: "C19H22ClNS" RELATED FORMULA [ChEBI:] synonym: "[Cl-].[H][N+](C)(C)CC\\C=C1\\c2ccccc2CSc2ccccc12" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C19H21NS.ClH/c1-20(2)13-7-11-17-16-9-4-3-8-15(16)14-21-19-12-6-5-10-18(17)19;/h3-6,8-12H,7,13-14H2,1-2H3;1H/b17-11-;" RELATED InChI [ChEBI:] synonym: "InChIKey=XUPZAARQDNSRJB-CULRIWENSA-N" RELATED InChIKey [ChEBI:] xref: ChemIDplus:25627-39-8 "CAS Registry Number" xref: Beilstein:5892556 "Beilstein Registry Number" is_a: CHEBI:31519 relationship: has_part CHEBI:36802 [Term] id: CHEBI:36805 name: trans-dothiepin hydrochloride def: "A dothiepin hydrochloride that has formula C19H22ClNS." [] synonym: "trans-prothiadene hydrochloride" RELATED [ChemIDplus:] synonym: "(3E)-3-dibenzo[b,e]thiepin-11(6H)-ylidene-N,N-dimethylpropan-1-amine hydrochloride" EXACT IUPAC_NAME [IUPAC:] synonym: "trans-11-(3-dimethylaminopropylidene)-6,11-dihydrodibenzo(b,e)thiepin hydrochloride" RELATED [ChemIDplus:] synonym: "C19H22ClNS" RELATED FORMULA [ChEBI:] synonym: "[Cl-].[H][N+](C)(C)CC\\C=C1/c2ccccc2CSc2ccccc12" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C19H21NS.ClH/c1-20(2)13-7-11-17-16-9-4-3-8-15(16)14-21-19-12-6-5-10-18(17)19;/h3-6,8-12H,7,13-14H2,1-2H3;1H/b17-11+;" RELATED InChI [ChEBI:] synonym: "InChIKey=XUPZAARQDNSRJB-SJDTYFKWSA-N" RELATED InChIKey [ChEBI:] xref: Beilstein:3637519 "Beilstein Registry Number" xref: ChemIDplus:25627-36-5 "CAS Registry Number" is_a: CHEBI:31519 relationship: has_part CHEBI:36803 [Term] id: CHEBI:39440 name: BRACO-19 def: "A hydrochloride that has formula C35H46Cl3N7O2." [] synonym: "N,N'-(9-{[4-(dimethylamino)phenyl]amino}acridine-3,6-diyl)bis(3-pyrrolidin-1-ylpropanamide) trihydrochloride" EXACT IUPAC_NAME [IUPAC:] synonym: "BRACO19" RELATED [ChEBI:] synonym: "C35H46Cl3N7O2" RELATED FORMULA [ChEBI:] synonym: "Cl[H].Cl[H].Cl[H].CN(C)c1ccc(Nc2c3ccc(NC(=O)CCN4CCCC4)cc3nc3cc(NC(=O)CCN4CCCC4)ccc23)cc1" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C35H43N7O2.3ClH/c1-40(2)28-11-7-25(8-12-28)38-35-29-13-9-26(36-33(43)15-21-41-17-3-4-18-41)23-31(29)39-32-24-27(10-14-30(32)35)37-34(44)16-22-42-19-5-6-20-42;;;/h7-14,23-24H,3-6,15-22H2,1-2H3,(H,36,43)(H,37,44)(H,38,39);3*1H" RELATED InChI [ChEBI:] synonym: "InChIKey=MJAPNWJRLLDPAB-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: Beilstein:10514111 "Beilstein Registry Number" relationship: has_part CHEBI:33534 is_a: CHEBI:36807 [Term] id: CHEBI:2380 name: acebutolol hydrochloride def: "The hydrochloride salt of acebutolol, prepared using equimolar amounts of acebutolol and hydrogen chloride." [] synonym: "(+-)-3'-acetyl-4'-(2-hydroxy-3-(isopropylamino)propoxy)butyranilide monohydrochloride" RELATED [ChemIDplus:] synonym: "Neptal" RELATED BRAND_NAME [ChemIDplus:] synonym: "Acebutolol hydrochloride" EXACT [KEGG COMPOUND:] synonym: "Sectral" RELATED BRAND_NAME [ChemIDplus:] synonym: "dl-1-(2-acetyl-4-butyramidophenoxy)-2-hydroxy-3-isopropylaminopropane hydrochloride" RELATED [ChemIDplus:] synonym: "3'-acetyl-4'-(2-hydroxy-3-(isopropylamino)propoxy)butyranilide hydrochloride" RELATED [ChemIDplus:] synonym: "Prent" RELATED BRAND_NAME [ChemIDplus:] synonym: "N-{3-acetyl-4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl}butanamide hydrochloride" EXACT IUPAC_NAME [IUPAC:] synonym: "C18H28N2O4.HCl" RELATED FORMULA [KEGG COMPOUND:] synonym: "Cl[H].CCCC(=O)Nc1ccc(OCC(O)CNC(C)C)c(c1)C(C)=O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C18H28N2O4.ClH/c1-5-6-18(23)20-14-7-8-17(16(9-14)13(4)21)24-11-15(22)10-19-12(2)3;/h7-9,12,15,19,22H,5-6,10-11H2,1-4H3,(H,20,23);1H" RELATED InChI [ChEBI:] synonym: "InChIKey=KTUFKADDDORSSI-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: ChemIDplus:34381-68-5 "CAS Registry Number" xref: Beilstein:6080568 "Beilstein Registry Number" xref: KEGG COMPOUND:34381-68-5 "CAS Registry Number" xref: DrugBank:DB01193 "DrugBank" xref: KEGG DRUG:D00597 "KEGG DRUG" xref: KEGG COMPOUND:C07677 "KEGG COMPOUND" xref: Gmelin:2181029 "Gmelin Registry Number" is_a: CHEBI:36807 relationship: has_part CHEBI:62101 relationship: has_role CHEBI:38070 relationship: has_role CHEBI:35530 relationship: has_role CHEBI:35674 relationship: has_role CHEBI:35524 [Term] id: CHEBI:2619 name: amantadine hydrochloride def: "A hydrochloride that has formula C10H18ClN." [] synonym: "1-Aminoadamantane hydrochloride" RELATED [ChemIDplus:] synonym: "tricyclo[3.3.1.1(3,7)]decan-1-aminium chloride" RELATED [IUPAC:] synonym: "1-Adamantylamine hydrochloride" RELATED [ChemIDplus:] synonym: "adamantan-1-aminium chloride" EXACT IUPAC_NAME [IUPAC:] synonym: "Symmetrel" RELATED BRAND_NAME [DrugBank:] synonym: "Amantadine hydrochloride" EXACT [KEGG COMPOUND:] synonym: "1-Aminoadamantene hydrochlorid" RELATED [ChemIDplus:] synonym: "1-Adamantanamine hydrochloride" RELATED [ChemIDplus:] synonym: "C10H18ClN" RELATED FORMULA [ChEBI:] synonym: "C10H17N.HCl" RELATED FORMULA [KEGG COMPOUND:] synonym: "[Cl-].[NH3+]C12CC3CC(CC(C3)C1)C2" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C10H17N.ClH/c11-10-4-7-1-8(5-10)3-9(2-7)6-10;/h7-9H,1-6,11H2;1H" RELATED InChI [ChEBI:] synonym: "InChIKey=WOLHOYHSEKDWQH-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: KEGG COMPOUND:C07939 "KEGG COMPOUND" xref: ChemIDplus:665-66-7 "CAS Registry Number" xref: Gmelin:838463 "Gmelin Registry Number" xref: Beilstein:4198854 "Beilstein Registry Number" xref: KEGG DRUG:D00777 "KEGG DRUG" xref: KEGG COMPOUND:665-66-7 "CAS Registry Number" xref: DrugBank:DB00915 "DrugBank" is_a: CHEBI:36807 relationship: has_part CHEBI:48320 [Term] id: CHEBI:9016 name: arsphenamine def: "A diarsene that has formula C12H14As2Cl2N2O2." [] synonym: "4,4'-(1,2-diarsenediyl)bis(2-aminophenol) dihydrochloride" RELATED [ChemIDplus:] synonym: "4,4'-arsenobis(2-aminophenol) dihydrochloride" RELATED [ChemIDplus:] synonym: "Salvarsan" RELATED [KEGG COMPOUND:] synonym: "arsenphenolamine hydrochloride" RELATED [ChemIDplus:] synonym: "Arsphenamine" EXACT [KEGG COMPOUND:] synonym: "6,6'-dihydroxy-3,3'-diarsene-1,2-diyldianilinium dichloride" RELATED [ChemIDplus:] synonym: "4,4'-(diarsene-1,2-diyl)bis(2-aminophenol) dihydrochloride" RELATED [IUPAC:] synonym: "3,3'-diamino-4,4'-dihydroxyarsenobenzene dihydrochloride" RELATED [ChemIDplus:] synonym: "Ehrlich 606" RELATED [ChemIDplus:] synonym: "3,3'-(diarsene-1,2-diyl)bis(6-hydroxybenzenaminium) dichloride" EXACT IUPAC_NAME [IUPAC:] synonym: "C12H14As2Cl2N2O2" RELATED FORMULA [ChEBI:] synonym: "C12H12As2N2O2.2HCl" RELATED FORMULA [KEGG COMPOUND:] synonym: "[Cl-].[Cl-].[NH3+]c1cc(ccc1O)[As]=[As]c1ccc(O)c([NH3+])c1" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C12H12As2N2O2.2ClH/c15-9-5-7(1-3-11(9)17)13-14-8-2-4-12(18)10(16)6-8;;/h1-6,17-18H,15-16H2;2*1H" RELATED InChI [ChEBI:] synonym: "InChIKey=VLAXZGHHBIJLAD-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: ChemIDplus:139-93-5 "CAS Registry Number" xref: KEGG COMPOUND:139-93-5 "CAS Registry Number" xref: KEGG COMPOUND:C11744 "KEGG COMPOUND" xref: Gmelin:269938 "Gmelin Registry Number" is_a: CHEBI:33406 relationship: has_role CHEBI:36051 is_a: CHEBI:36807 is_a: CHEBI:50954 relationship: has_part CHEBI:50958 [Term] id: CHEBI:3612 name: chlordiazepoxide hydrochloride def: "A hydrochloride that has formula C16H14ClN3O.HCl." [] synonym: "A-Poxide" RELATED BRAND_NAME [ChemIDplus:] synonym: "Elenium" RELATED BRAND_NAME [DrugBank:] synonym: "chlordiazepoxide monohydrochloride" RELATED [ChemIDplus:] synonym: "Cebrum" RELATED BRAND_NAME [ChemIDplus:] synonym: "Reliberan" RELATED BRAND_NAME [ChemIDplus:] synonym: "Lentotran" RELATED BRAND_NAME [ChemIDplus:] synonym: "Librium" RELATED BRAND_NAME [KEGG DRUG:] synonym: "7-chloro-N-methyl-5-phenyl-3H-1,4-benzodiazepin-2-amine 4-oxide hydrochloride" EXACT IUPAC_NAME [IUPAC:] synonym: "Balance" RELATED BRAND_NAME [DrugBank:] synonym: "Benzodiapin" RELATED BRAND_NAME [ChemIDplus:] synonym: "Psichial" RELATED BRAND_NAME [ChemIDplus:] synonym: "Seren Vita" RELATED BRAND_NAME [ChemIDplus:] synonym: "Ansiacal" RELATED BRAND_NAME [ChemIDplus:] synonym: "Labican" RELATED BRAND_NAME [ChemIDplus:] synonym: "Equibral" RELATED BRAND_NAME [ChemIDplus:] synonym: "Viansin" RELATED BRAND_NAME [ChemIDplus:] synonym: "C16H14ClN3O.HCl" RELATED FORMULA [KEGG DRUG:] synonym: "C16H15Cl2N3O" RELATED FORMULA [ChEBI:] synonym: "Cl.CNC1=Nc2ccc(Cl)cc2C(c2ccccc2)=N(=O)C1" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C16H14ClN3O.ClH/c1-18-15-10-20(21)16(11-5-3-2-4-6-11)13-9-12(17)7-8-14(13)19-15;/h2-9H,10H2,1H3,(H,18,19);1H" RELATED InChI [ChEBI:] synonym: "InChIKey=DMLFJMQTNDSRFU-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: Beilstein:3639552 "Beilstein Registry Number" xref: ChemIDplus:438-41-5 "CAS Registry Number" xref: KEGG DRUG:D00693 "KEGG DRUG" xref: DrugBank:DB00475 "DrugBank" is_a: CHEBI:36807 relationship: has_role CHEBI:35474 relationship: has_part CHEBI:3611 [Term] id: CHEBI:3649 name: chlorpromazine hydrochloride def: "The hydrochloride salt of chlorpromazine." [] synonym: "2-chloro-10-(3-(dimethylamino)propyl)phenothiazine monohydrochloride" RELATED [ChemIDplus:] synonym: "Chlorpromazine hydrochloride" EXACT [KEGG COMPOUND:] synonym: "3-(2-chloro-10H-phenothiazin-10-yl)-N,N-dimethylpropan-1-amine hydrochloride" EXACT IUPAC_NAME [IUPAC:] synonym: "2-chloro-N,N-dimethyl-10H-phenothiazine-10-propanamine monohydrochloride" RELATED [ChemIDplus:] synonym: "Aminazin" RELATED BRAND_NAME [DrugBank:] synonym: "Plegomazin" RELATED BRAND_NAME [DrugBank:] synonym: "Ampliactil" RELATED BRAND_NAME [DrugBank:] synonym: "Chlorazin" RELATED BRAND_NAME [ChemIDplus:] synonym: "Thorazine" RELATED BRAND_NAME [ChemIDplus:] synonym: "Hibernal" RELATED BRAND_NAME [ChemIDplus:] synonym: "Propaphenin" RELATED BRAND_NAME [DrugBank:] synonym: "Chloropromazine monohydrochloride" RELATED [KEGG COMPOUND:] synonym: "chlorpromazinium chloride" RELATED [ChemIDplus:] synonym: "Largactil" RELATED BRAND_NAME [DrugBank:] synonym: "C17H19ClN2S.HCl" RELATED FORMULA [KEGG COMPOUND:] synonym: "[H+].[Cl-].CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C17H19ClN2S.ClH/c1-19(2)10-5-11-20-14-6-3-4-7-16(14)21-17-9-8-13(18)12-15(17)20;/h3-4,6-9,12H,5,10-11H2,1-2H3;1H" RELATED InChI [ChEBI:] synonym: "InChIKey=FBSMERQALIEGJT-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: ChemIDplus:69-09-0 "CAS Registry Number" xref: Beilstein:3779989 "Beilstein Registry Number" xref: KEGG DRUG:D00789 "KEGG DRUG" xref: KEGG COMPOUND:69-09-0 "CAS Registry Number" xref: CiteXplore:6196640 "PubMed citation" xref: KEGG COMPOUND:C07952 "KEGG COMPOUND" xref: DrugBank:DB00477 "DrugBank" relationship: has_role CHEBI:37930 relationship: has_part CHEBI:3647 is_a: CHEBI:38093 is_a: CHEBI:36807 [Term] id: CHEBI:5882 name: imipramine hydrochloride def: "A tricyclic antidepressant that has formula C19H24N2.HCl." [] synonym: "3-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-N,N-dimethylpropan-1-amine hydrochloride" EXACT IUPAC_NAME [IUPAC:] synonym: "Tofranil" RELATED BRAND_NAME [ChemIDplus:] synonym: "3-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-N,N-dimethylpropan-1-aminium chloride" EXACT IUPAC_NAME [IUPAC:] synonym: "Imipramine hydrochloride" EXACT [KEGG COMPOUND:] synonym: "Antideprin hydrochloride" RELATED [ChemIDplus:] synonym: "C19H24N2.HCl" RELATED FORMULA [KEGG COMPOUND:] synonym: "C19H25ClN2" RELATED FORMULA [ChEBI:] synonym: "[Cl-].[H][N+](C)(C)CCCN1c2ccccc2CCc2ccccc12" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C19H24N2.ClH/c1-20(2)14-7-15-21-18-10-5-3-8-16(18)12-13-17-9-4-6-11-19(17)21;/h3-6,8-11H,7,12-15H2,1-2H3;1H" RELATED InChI [ChEBI:] synonym: "InChIKey=XZZXIYZZBJDEEP-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: KEGG DRUG:D00815 "KEGG DRUG" xref: ChemIDplus:113-52-0 "CAS Registry Number" xref: KEGG COMPOUND:113-52-0 "CAS Registry Number" xref: KEGG COMPOUND:C07982 "KEGG COMPOUND" xref: Gmelin:1590712 "Gmelin Registry Number" xref: Beilstein:3576963 "Beilstein Registry Number" is_a: CHEBI:36809 relationship: has_part CHEBI:47499 is_a: CHEBI:36807 [Term] id: CHEBI:48556 name: medetomidine hydrochloride def: "A hydrochloride that has formula C13H16N2.HCl." [] synonym: "Domitor" RELATED BRAND_NAME [ChEBI:] synonym: "(+-)-4-(alpha,2,3-trimethylbenzyl)imidazole monohydrochloride" RELATED [ChemIDplus:] synonym: "4-[1-(2,3-dimethylphenyl)ethyl]-1H-imidazole hydrochloride" EXACT IUPAC_NAME [IUPAC:] synonym: "MPV 785" RELATED [ChemIDplus:] synonym: "C13H16N2.HCl" RELATED FORMULA [KEGG DRUG:] synonym: "C13H17ClN2" RELATED FORMULA [ChEBI:] synonym: "Cl.CC(c1c[nH]cn1)c1cccc(C)c1C" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C13H16N2.ClH/c1-9-5-4-6-12(10(9)2)11(3)13-7-14-8-15-13;/h4-8,11H,1-3H3,(H,14,15);1H" RELATED InChI [ChEBI:] synonym: "InChIKey=VPNGEIHDPSLNMU-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: ChemIDplus:86347-15-1 "CAS Registry Number" xref: KEGG DRUG:D04883 "KEGG DRUG" xref: Beilstein:4890476 "Beilstein Registry Number" is_a: CHEBI:36807 [Term] id: CHEBI:31472 name: dexmedetomidine hydrochloride def: "A medetomidine hydrochloride that has formula C13H16N2.HCl." [] synonym: "4-[(1S)-1-(2,3-dimethylphenyl)ethyl]-1H-imidazole hydrochloride" EXACT IUPAC_NAME [IUPAC:] synonym: "4-((S)-alpha,2,3-trimethylbenzyl)imidazole monohydrochloride" RELATED [ChemIDplus:] synonym: "Precedex" RELATED BRAND_NAME [KEGG DRUG:] synonym: "C13H16N2.HCl" RELATED FORMULA [KEGG DRUG:] synonym: "C13H17ClN2" RELATED FORMULA [ChEBI:] synonym: "Cl.C[C@H](c1c[nH]cn1)c1cccc(C)c1C" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C13H16N2.ClH/c1-9-5-4-6-12(10(9)2)11(3)13-7-14-8-15-13;/h4-8,11H,1-3H3,(H,14,15);1H/t11-;/m0./s1" RELATED InChI [ChEBI:] synonym: "InChIKey=VPNGEIHDPSLNMU-MERQFXBCSA-N" RELATED InChIKey [ChEBI:] xref: Beilstein:8937629 "Beilstein Registry Number" xref: KEGG DRUG:D01205 "KEGG DRUG" xref: ChemIDplus:145108-58-3 "CAS Registry Number" relationship: has_part CHEBI:4466 relationship: has_role CHEBI:35717 is_a: CHEBI:48556 relationship: is_enantiomer_of CHEBI:48557 [Term] id: CHEBI:48557 name: levomedetomidine hydrochloride def: "A medetomidine hydrochloride that has formula C13H16N2.HCl." [] synonym: "4-[(1R)-1-(2,3-dimethylphenyl)ethyl]-1H-imidazole hydrochloride" EXACT IUPAC_NAME [IUPAC:] synonym: "C13H16N2.HCl" RELATED FORMULA [ChEBI:] synonym: "C13H17ClN2" RELATED FORMULA [ChEBI:] synonym: "Cl.C[C@@H](c1c[nH]cn1)c1cccc(C)c1C" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C13H16N2.ClH/c1-9-5-4-6-12(10(9)2)11(3)13-7-14-8-15-13;/h4-8,11H,1-3H3,(H,14,15);1H/t11-;/m1./s1" RELATED InChI [ChEBI:] synonym: "InChIKey=VPNGEIHDPSLNMU-RFVHGSKJSA-N" RELATED InChIKey [ChEBI:] xref: Beilstein:8441403 "Beilstein Registry Number" is_a: CHEBI:48556 relationship: has_part CHEBI:48555 relationship: is_enantiomer_of CHEBI:31472 [Term] id: CHEBI:48566 name: thioridazine hydrochloride alt_id: CHEBI:48564 alt_id: CHEBI:9567 def: "A hydrochloride that has formula C21H26N2S2.HCl." [] synonym: "Orsanil" RELATED BRAND_NAME [DrugBank:] synonym: "Mellaril Hydrochloride" RELATED BRAND_NAME [DrugBank:] synonym: "Mellerette" RELATED BRAND_NAME [DrugBank:] synonym: "Melleretten" RELATED BRAND_NAME [DrugBank:] synonym: "Aldazine" RELATED BRAND_NAME [DrugBank:] synonym: "Mellaril" RELATED BRAND_NAME [DrugBank:] synonym: "Meleril" RELATED BRAND_NAME [DrugBank:] synonym: "Thioridazine chloride" RELATED [ChemIDplus:] synonym: "Ridazine" RELATED BRAND_NAME [DrugBank:] synonym: "Melleril" RELATED BRAND_NAME [DrugBank:] synonym: "Mallorol" RELATED [DrugBank:] synonym: "Ridazin" RELATED BRAND_NAME [DrugBank:] synonym: "Sonapax Hydrochloride" RELATED BRAND_NAME [DrugBank:] synonym: "Thioridazine Hcl" RELATED [DrugBank:] synonym: "2-Methylmercapto-10-(2-(N-methyl-2-piperidyl)ethyl)phenothiazine hydrochloride" RELATED [ChemIDplus:] synonym: "10-[2-(1-methylpiperidin-2-yl)ethyl]-2-(methylsulfanyl)-10H-phenothiazine hydrochloride" EXACT IUPAC_NAME [IUPAC:] synonym: "C21H26N2S2.HCl" RELATED FORMULA [KEGG DRUG:] synonym: "C21H27ClN2S2" RELATED FORMULA [ChEBI:] synonym: "Cl.CSc1ccc2Sc3ccccc3N(CCC3CCCCN3C)c2c1" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C21H26N2S2.ClH/c1-22-13-6-5-7-16(22)12-14-23-18-8-3-4-9-20(18)25-21-11-10-17(24-2)15-19(21)23;/h3-4,8-11,15-16H,5-7,12-14H2,1-2H3;1H" RELATED InChI [ChEBI:] synonym: "InChIKey=NZFNXWQNBYZDAQ-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: Beilstein:4170703 "Beilstein Registry Number" xref: KEGG DRUG:D00798 "KEGG DRUG" xref: DrugBank:DB00679 "DrugBank" xref: ChemIDplus:130-61-0 "CAS Registry Number" is_a: CHEBI:36807 relationship: has_part CHEBI:9566 relationship: has_role CHEBI:65190 [Term] id: CHEBI:9399 name: tamsulosin hydrochloride def: "A hydrochloride that has formula C20H28N2O5S.HCl." [] synonym: "Harnal" RELATED BRAND_NAME [KEGG DRUG:] synonym: "R-(-)-5-(2-((2-(2-ethoxyphenoxy)ethyl)amino)propyl)-2-methoxybenzenesulfonamide hydrochloride" RELATED [ChemIDplus:] synonym: "YM 617" RELATED [ChemIDplus:] synonym: "Flomax" RELATED BRAND_NAME [KEGG DRUG:] synonym: "LY253351" RELATED [ChemIDplus:] synonym: "(R)-5-(2-((2-(2-ethoxyphenoxy)ethyl)amino)propyl)-2-methoxybenzenesulfonamide monohydrochloride" RELATED BRAND_NAME [ChemIDplus:] synonym: "Omnic" RELATED BRAND_NAME [ChemIDplus:] synonym: "Pradif" RELATED BRAND_NAME [ChemIDplus:] synonym: "(-)-(R)-5-(2-((2-(o-ethoxyphenoxy)ethyl)amino)propyl)-2-methoxybenzenesulfonamide monohydrochloride" RELATED [ChemIDplus:] synonym: "5-[(2R)-2-{[2-(2-ethoxyphenoxy)ethyl]amino}propyl]-2-methoxybenzenesulfonamide hydrochloride" EXACT IUPAC_NAME [IUPAC:] synonym: "C20H28N2O5S.HCl" RELATED FORMULA [KEGG DRUG:] synonym: "[H+].[Cl-].CCOc1ccccc1OCCN[C@H](C)Cc1ccc(OC)c(c1)S(N)(=O)=O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C20H28N2O5S.ClH/c1-4-26-17-7-5-6-8-18(17)27-12-11-22-15(2)13-16-9-10-19(25-3)20(14-16)28(21,23)24;/h5-10,14-15,22H,4,11-13H2,1-3H3,(H2,21,23,24);1H/t15-;/m1./s1" RELATED InChI [ChEBI:] synonym: "InChIKey=ZZIZZTHXZRDOFM-XFULWGLBSA-N" RELATED InChIKey [ChEBI:] xref: DrugBank:DB00706 "DrugBank" xref: ChemIDplus:106463-17-6 "CAS Registry Number" xref: KEGG DRUG:D01024 "KEGG DRUG" xref: Patent:WO2007031823 "Patent" xref: Beilstein:6897600 "Beilstein Registry Number" is_a: CHEBI:36807 relationship: has_part CHEBI:9398 [Term] id: CHEBI:8714 name: quinapril hydrochloride def: "A hydrochloride that has formula C25H31ClN2O5." [] synonym: "Accuprin" RELATED BRAND_NAME [DrugBank:] synonym: "Acequin" RELATED BRAND_NAME [DrugBank:] synonym: "Acuitel" RELATED BRAND_NAME [DrugBank:] synonym: "Quinazil" RELATED BRAND_NAME [DrugBank:] synonym: "Quinapril hydrochloride" EXACT [KEGG COMPOUND:] synonym: "Accupro" RELATED BRAND_NAME [DrugBank:] synonym: "Accupril" RELATED BRAND_NAME [DrugBank:] synonym: "(3S)-2-{(2S)-2-[(1S)-1-ethoxycarbonyl-3-phenylpropylamino]propanoyl}-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid hydrochloride" EXACT IUPAC_NAME [IUPAC:] synonym: "Korec" RELATED BRAND_NAME [DrugBank:] synonym: "C25H31ClN2O5" RELATED FORMULA [ChEBI:] synonym: "C25H30N2O5.HCl" RELATED FORMULA [KEGG COMPOUND:] synonym: "Cl[H].CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(O)=O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C25H30N2O5.ClH/c1-3-32-25(31)21(14-13-18-9-5-4-6-10-18)26-17(2)23(28)27-16-20-12-8-7-11-19(20)15-22(27)24(29)30;/h4-12,17,21-22,26H,3,13-16H2,1-2H3,(H,29,30);1H/t17-,21-,22-;/m0./s1" RELATED InChI [ChEBI:] synonym: "InChIKey=IBBLRJGOOANPTQ-JKVLGAQCSA-N" RELATED InChIKey [ChEBI:] xref: KEGG COMPOUND:C07340 "KEGG COMPOUND" xref: KEGG COMPOUND:82586-55-8 "CAS Registry Number" xref: KEGG DRUG:D00459 "KEGG DRUG" xref: Beilstein:5699760 "Beilstein Registry Number" is_a: CHEBI:36807 relationship: has_part CHEBI:8713 [Term] id: CHEBI:50003 name: amineptine hydrochloride def: "A hydrochloride that has formula C22H28ClNO2." [] synonym: "N-(6-carboxyhexyl)-10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-aminium chloride" EXACT IUPAC_NAME [IUPAC:] synonym: "7-(10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-ylamino)heptanoic acid hydrochloride" RELATED [IUPAC:] synonym: "Maneon" RELATED BRAND_NAME [DrugBank:] synonym: "Survector" RELATED BRAND_NAME [DrugBank:] synonym: "C22H28ClNO2" RELATED FORMULA [ChEBI:] synonym: "[Cl-].OC(=O)CCCCCC[NH2+]C1c2ccccc2CCc2ccccc12" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C22H27NO2.ClH/c24-21(25)13-3-1-2-8-16-23-22-19-11-6-4-9-17(19)14-15-18-10-5-7-12-20(18)22;/h4-7,9-12,22-23H,1-3,8,13-16H2,(H,24,25);1H" RELATED InChI [ChEBI:] synonym: "InChIKey=VDPUXONTAVMIKZ-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: Beilstein:5682493 "Beilstein Registry Number" xref: ChemIDplus:30272-08-3 "CAS Registry Number" relationship: has_part CHEBI:32499 is_a: CHEBI:36807 [Term] id: CHEBI:6439 name: levobunolol hydrochloride def: "A hydrochloride obtained by combining equimolar amounts of levobunolol and hydrochloric acid. A non-selective beta-adrenergic antagonist used for treatment of glaucoma." [] synonym: "(-)-3,4-Dihydro-5-(3-(tert-butylamino)-2-hydroxypropoxy)-1(2H)-naphthalenone hydrochloride" RELATED [ChemIDplus:] synonym: "(2S)-N-(tert-butyl)-2-hydroxy-3-[(5-oxo-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]propan-1-aminium chloride" RELATED [IUPAC:] synonym: "Betagan" RELATED BRAND_NAME [KEGG DRUG:] synonym: "Levobunolol HCl" RELATED [ChemIDplus:] synonym: "Levobunolol hydrochloride" EXACT [KEGG COMPOUND:] synonym: "(-)-5-(3-(tert-Butylamino)-2-hydroxypropoxy)-3,4-dihydro-1(2H)-naphthalenone hydrochloride" RELATED [ChemIDplus:] synonym: "levobunolol monohydrochloride" RELATED [ChEBI:] synonym: "5-[(2S)-3-(tert-butylamino)-2-hydroxypropoxy]-3,4-dihydronaphthalen-1(2H)-one hydrochloride" EXACT IUPAC_NAME [IUPAC:] synonym: "C17H25NO3.HCl" RELATED FORMULA [KEGG DRUG:] synonym: "C17H26ClNO3" RELATED FORMULA [ChEBI:] synonym: "Cl.CC(C)(C)NC[C@H](O)COc1cccc2C(=O)CCCc12" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C17H25NO3.ClH/c1-17(2,3)18-10-12(19)11-21-16-9-5-6-13-14(16)7-4-8-15(13)20;/h5-6,9,12,18-19H,4,7-8,10-11H2,1-3H3;1H/t12-;/m0./s1" RELATED InChI [ChEBI:] synonym: "InChIKey=DNTDOBSIBZKFCP-YDALLXLXSA-N" RELATED InChIKey [ChEBI:] xref: ChemIDplus:27912-14-7 "CAS Registry Number" xref: CiteXplore:9088734 "PubMed citation" xref: CiteXplore:3293726 "PubMed citation" xref: CiteXplore:14576520 "PubMed citation" xref: CiteXplore:3282501 "PubMed citation" xref: DrugBank:DB01210 "DrugBank" xref: Patent:WO2008002929 "Patent" xref: CiteXplore:10782624 "PubMed citation" xref: CiteXplore:17760336 "PubMed citation" xref: CiteXplore:3058836 "PubMed citation" xref: KEGG DRUG:D01025 "KEGG DRUG" xref: Patent:US5733938 "Patent" xref: Patent:CN101342163 "Patent" xref: CiteXplore:3246571 "PubMed citation" xref: CiteXplore:2663750 "PubMed citation" xref: CiteXplore:3883971 "PubMed citation" xref: CiteXplore:1481323 "PubMed citation" xref: Patent:WO2007034140 "Patent" xref: CiteXplore:1486629 "PubMed citation" xref: CiteXplore:3291837 "PubMed citation" xref: KEGG COMPOUND:27912-14-7 "CAS Registry Number" xref: Patent:US6159458 "Patent" xref: CiteXplore:1346539 "PubMed citation" xref: CiteXplore:9373479 "PubMed citation" xref: CiteXplore:12002664 "PubMed citation" xref: KEGG COMPOUND:C08228 "KEGG COMPOUND" xref: CiteXplore:18608798 "PubMed citation" xref: Wikipedia:Levobunolol "Wikipedia" xref: CiteXplore:1565455 "PubMed citation" xref: CiteXplore:9916610 "PubMed citation" xref: CiteXplore:2895783 "PubMed citation" xref: CiteXplore:7898865 "PubMed citation" xref: CiteXplore:2628505 "PubMed citation" is_a: CHEBI:36807 relationship: has_role CHEBI:35530 relationship: has_role CHEBI:39456 relationship: has_part CHEBI:72567 [Term] id: CHEBI:50140 name: methadone hydrochloride def: "A hydrochloride that has formula C21H28ClNO." [] synonym: "Physeptone" RELATED BRAND_NAME [DrugBank:] synonym: "Heptadon" RELATED BRAND_NAME [DrugBank:] synonym: "Algolysin" RELATED [ChemIDplus:] synonym: "6-(dimethylamino)-4,4-diphenylheptan-3-one hydrochloride" EXACT IUPAC_NAME [IUPAC:] synonym: "Phenadone hydrochloride" RELATED [DrugBank:] synonym: "Dolophine hydrochloride" RELATED BRAND_NAME [KEGG DRUG:] synonym: "(+-)-methadone hydrochloride" RELATED [DrugBank:] synonym: "Adolan" RELATED BRAND_NAME [DrugBank:] synonym: "DL-Methadone hydrochloride" RELATED [DrugBank:] synonym: "C21H28ClNO" RELATED FORMULA [ChEBI:] synonym: "C21H27NO.HCl" RELATED FORMULA [KEGG DRUG:] synonym: "Cl.CCC(=O)C(CC(C)N(C)C)(c1ccccc1)c1ccccc1" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C21H27NO.ClH/c1-5-20(23)21(16-17(2)22(3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19;/h6-15,17H,5,16H2,1-4H3;1H" RELATED InChI [ChEBI:] synonym: "InChIKey=FJQXCDYVZAHXNS-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: KEGG DRUG:1095-90-5 "CAS Registry Number" xref: Beilstein:3919789 "Beilstein Registry Number" xref: ChemIDplus:1095-90-5 "CAS Registry Number" xref: KEGG DRUG:D02102 "KEGG DRUG" is_a: CHEBI:36807 relationship: has_part CHEBI:6807 [Term] id: CHEBI:5819 name: hydroxyzine hydrochloride def: "A hydrochloride that has formula C21H27ClN2O2.2HCl." [] synonym: "Hydroxyzine dihydrochloride" RELATED [ChemIDplus:] synonym: "Hydroxyzine HCl" RELATED [ChemIDplus:] synonym: "Atarax" RELATED BRAND_NAME [ChemIDplus:] synonym: "C21H27ClN2O2.2HCl" RELATED FORMULA [KEGG DRUG:] synonym: "C21H29Cl3N2O2" RELATED FORMULA [ChEBI:] synonym: "[H+].[H+].[Cl-].[Cl-].OCCOCCN1CCN(CC1)C(c1ccccc1)c1ccc(Cl)cc1" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C21H27ClN2O2.2ClH/c22-20-8-6-19(7-9-20)21(18-4-2-1-3-5-18)24-12-10-23(11-13-24)14-16-26-17-15-25;;/h1-9,21,25H,10-17H2;2*1H" RELATED InChI [ChEBI:] synonym: "InChIKey=ANOMHKZSQFYSBR-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: DrugBank:DB00557 "DrugBank" xref: Beilstein:3797994 "Beilstein Registry Number" xref: ChemIDplus:2192-20-3 "CAS Registry Number" xref: KEGG DRUG:D00672 "KEGG DRUG" is_a: CHEBI:36807 relationship: has_part CHEBI:5818 [Term] id: CHEBI:50224 name: dexrazoxane hydrochloride def: "A hydrochloride that has formula C11H17ClN4O4." [] synonym: "Totect" RELATED BRAND_NAME [ChemIDplus:] synonym: "Zinecard" RELATED BRAND_NAME [DrugBank:] synonym: "Cardioxane" RELATED BRAND_NAME [DrugBank:] synonym: "4,4'-(2S)-propane-1,2-diyldipiperazine-2,6-dione hydrochloride" EXACT IUPAC_NAME [IUPAC:] synonym: "C11H17ClN4O4" RELATED FORMULA [ChEBI:] synonym: "[H+].[Cl-].C[C@@H](CN1CC(=O)NC(=O)C1)N1CC(=O)NC(=O)C1" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C11H16N4O4.ClH/c1-7(15-5-10(18)13-11(19)6-15)2-14-3-8(16)12-9(17)4-14;/h7H,2-6H2,1H3,(H,12,16,17)(H,13,18,19);1H/t7-;/m0./s1" RELATED InChI [ChEBI:] synonym: "InChIKey=BIFMNMPSIYHKDN-FJXQXJEOSA-N" RELATED InChIKey [ChEBI:] xref: ChemIDplus:149003-01-0 "CAS Registry Number" xref: DrugBank:DB00380 "DrugBank" xref: Beilstein:11305963 "Beilstein Registry Number" relationship: has_part CHEBI:50223 relationship: has_role CHEBI:35610 relationship: has_role CHEBI:35554 relationship: has_role CHEBI:38161 relationship: has_role CHEBI:35705 is_a: CHEBI:36807 [Term] id: CHEBI:50362 name: cimetidine hydrochloride def: "A hydrochloride that has formula C10H17ClN6S." [] synonym: "Tagamet" RELATED BRAND_NAME [DrugBank:] synonym: "Cimetidine HCl" RELATED [ChemIDplus:] synonym: "C10H17ClN6S" RELATED FORMULA [ChEBI:] synonym: "C10H16N6S.HCl" RELATED FORMULA [KEGG DRUG:] synonym: "[H+].[Cl-].CN\\C(NCCSCc1nc[nH]c1C)=N\\C#N" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C10H16N6S.ClH/c1-8-9(16-7-15-8)5-17-4-3-13-10(12-2)14-6-11;/h7H,3-5H2,1-2H3,(H,15,16)(H2,12,13,14);1H" RELATED InChI [ChEBI:] synonym: "InChIKey=QJHCNBWLPSXHBL-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: ChemIDplus:70059-30-2 "CAS Registry Number" xref: DrugBank:DB00501 "DrugBank" xref: KEGG DRUG:D03503 "KEGG DRUG" relationship: has_part CHEBI:3699 is_a: CHEBI:36807 relationship: has_role CHEBI:49201 [Term] id: CHEBI:32014 name: pirenzepine hydrochloride def: "A hydrochloride that has formula C19H23Cl2N5O2." [] synonym: "11-[(4-methylpiperazin-1-yl)acetyl]-5,11-dihydro-6H-pyrido[2,3-b][1,4]benzodiazepin-6-one dihydrochloride" EXACT IUPAC_NAME [IUPAC:] synonym: "C19H23Cl2N5O2" RELATED FORMULA [ChEBI:] synonym: "C19H21N5O2.2HCl" RELATED FORMULA [KEGG DRUG:] synonym: "[H+].[H+].[Cl-].[Cl-].CN1CCN(CC1)CC(=O)N1c2ccccc2C(=O)Nc2cccnc12" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C19H21N5O2.2ClH/c1-22-9-11-23(12-10-22)13-17(25)24-16-7-3-2-5-14(16)19(26)21-15-6-4-8-20-18(15)24;;/h2-8H,9-13H2,1H3,(H,21,26);2*1H" RELATED InChI [ChEBI:] synonym: "InChIKey=FFNMBRCFFADNAO-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: DrugBank:DB00670 "DrugBank" xref: Beilstein:4732388 "Beilstein Registry Number" xref: KEGG DRUG:D01297 "KEGG DRUG" relationship: has_part CHEBI:8247 is_a: CHEBI:36807 [Term] id: CHEBI:30961 name: pyridoxine hydrochloride def: "A hydrochloride that has formula C8H12ClNO3." [] synonym: "4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol hydrochloride" EXACT IUPAC_NAME [IUPAC:] synonym: "3-hydroxy-4,5-dimethylol-alpha-picoline hydrochloride" RELATED [NIST Chemistry WebBook:] synonym: "2-methyl-3-hydroxy-4,5-bis(hydroxymethyl)pyridine hydrochloride" RELATED [NIST Chemistry WebBook:] synonym: "pyridoxol hydrochloride" RELATED [NIST Chemistry WebBook:] synonym: "5-hydroxy-6-methyl-3,4-pyridinedimethanol hydrochloride" RELATED [NIST Chemistry WebBook:] synonym: "vitamin B6 hydrochloride" RELATED [NIST Chemistry WebBook:] synonym: "C8H12ClNO3" RELATED FORMULA [ChEBI:] synonym: "Cl[H].Cc1ncc(CO)c(CO)c1O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C8H11NO3.ClH/c1-5-8(12)7(4-11)6(3-10)2-9-5;/h2,10-12H,3-4H2,1H3;1H" RELATED InChI [ChEBI:] synonym: "InChIKey=ZUFQODAHGAHPFQ-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: NIST Chemistry WebBook:58-56-0 "CAS Registry Number" xref: Beilstein:3632435 "Beilstein Registry Number" xref: ChemIDplus:58-56-0 "CAS Registry Number" xref: Gmelin:1067921 "Gmelin Registry Number" is_a: CHEBI:36807 relationship: has_functional_parent CHEBI:16709 [Term] id: CHEBI:8777 name: ranitidine hydrochloride def: "A hydrochloride that has formula C13H22N4O3S.HCl." [] synonym: "Ranibloc" RELATED BRAND_NAME [DrugBank:] synonym: "Nu-Ranit" RELATED BRAND_NAME [DrugBank:] synonym: "Gastrolav" RELATED BRAND_NAME [DrugBank:] synonym: "Rani-nerton" RELATED BRAND_NAME [DrugBank:] synonym: "Gastrial" RELATED BRAND_NAME [DrugBank:] synonym: "Ranitidine HCL" RELATED [ChemIDplus:] synonym: "Raniben" RELATED BRAND_NAME [DrugBank:] synonym: "Alquen" RELATED BRAND_NAME [DrugBank:] synonym: "Coralen" RELATED BRAND_NAME [DrugBank:] synonym: "Kuracid" RELATED BRAND_NAME [DrugBank:] synonym: "Fendibina" RELATED BRAND_NAME [DrugBank:] synonym: "Ranibeta" RELATED BRAND_NAME [DrugBank:] synonym: "Rani-Q" RELATED BRAND_NAME [DrugBank:] synonym: "(E)-N-{2-[({5-[(dimethylamino)methyl]-2-furyl}methyl)sulfanyl]ethyl}-N'-methyl-2-nitroethene-1,1-diamine hydrochloride" EXACT IUPAC_NAME [IUPAC:] synonym: "Raniberl" RELATED BRAND_NAME [DrugBank:] synonym: "Zantac" RELATED BRAND_NAME [DrugBank:] synonym: "Gastridina" RELATED BRAND_NAME [DrugBank:] synonym: "C13H22N4O3S.HCl" RELATED FORMULA [KEGG DRUG:] synonym: "C13H23ClN4O3S" RELATED FORMULA [ChEBI:] synonym: "[H+].[Cl-].CN\\C(NCCSCc1ccc(CN(C)C)o1)=C/[N+]([O-])=O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C13H22N4O3S.ClH/c1-14-13(9-17(18)19)15-6-7-21-10-12-5-4-11(20-12)8-16(2)3;/h4-5,9,14-15H,6-8,10H2,1-3H3;1H/b13-9+;" RELATED InChI [ChEBI:] synonym: "InChIKey=GGWBHVILAJZWKJ-KJEVSKRMSA-N" RELATED InChIKey [ChEBI:] xref: DrugBank:DB00863 "DrugBank" xref: ChemIDplus:66357-59-3 "CAS Registry Number" xref: KEGG DRUG:D00673 "KEGG DRUG" is_a: CHEBI:36807 relationship: has_part CHEBI:8776 [Term] id: CHEBI:50377 name: famotidine hydrochloride def: "A hydrochloride that has formula C8H15N7O2S3.HCl." [] synonym: "Famotidine HCl" RELATED [ChemIDplus:] synonym: "N'-(aminosulfonyl)-3-[({2-[(diaminomethylidene)amino]-1,3-thiazol-4-yl}methyl)sulfanyl]propanimidamide hydrochloride" EXACT IUPAC_NAME [IUPAC:] synonym: "C8H15N7O2S3.HCl" RELATED FORMULA [ChEBI:] synonym: "C8H16ClN7O2S3" RELATED FORMULA [ChEBI:] synonym: "[H+].[Cl-].NC(N)=Nc1nc(CSCCC(N)=NS(N)(=O)=O)cs1" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C8H15N7O2S3.ClH/c9-6(15-20(12,16)17)1-2-18-3-5-4-19-8(13-5)14-7(10)11;/h4H,1-3H2,(H2,9,15)(H2,12,16,17)(H4,10,11,13,14);1H" RELATED InChI [ChEBI:] synonym: "InChIKey=OONJNILIBCMSNC-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: ChemIDplus:108885-67-2 "CAS Registry Number" xref: Beilstein:5685659 "Beilstein Registry Number" is_a: CHEBI:36807 relationship: has_part CHEBI:4975 [Term] id: CHEBI:9589 name: ticlopidine hydrochloride def: "A hydrochloride that has formula C14H15Cl2NS." [] synonym: "Ticlopidine HCl" RELATED [ChemIDplus:] synonym: "Ticlodone" RELATED BRAND_NAME [ChemIDplus:] synonym: "Tiklyd" RELATED BRAND_NAME [ChemIDplus:] synonym: "Ticlid" RELATED BRAND_NAME [DrugBank:] synonym: "Ticlopid" RELATED BRAND_NAME [ChEBI:] synonym: "5-(2-chlorobenzyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine hydrochloride" EXACT IUPAC_NAME [IUPAC:] synonym: "C14H15Cl2NS" RELATED FORMULA [ChEBI:] synonym: "C14H14ClNS.HCl" RELATED FORMULA [KEGG DRUG:] synonym: "[H+].[Cl-].Clc1ccccc1CN1CCc2sccc2C1" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C14H14ClNS.ClH/c15-13-4-2-1-3-11(13)9-16-7-5-14-12(10-16)6-8-17-14;/h1-4,6,8H,5,7,9-10H2;1H" RELATED InChI [ChEBI:] synonym: "InChIKey=MTKNGOHFNXIVOS-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: Beilstein:4037097 "Beilstein Registry Number" xref: DrugBank:DB00208 "DrugBank" xref: ChemIDplus:53885-35-1 "CAS Registry Number" xref: KEGG DRUG:D01028 "KEGG DRUG" is_a: CHEBI:36807 relationship: has_part CHEBI:9588 [Term] id: CHEBI:9606 name: tirofiban hydrochloride def: "A hydrochloride that has formula C22H39ClN2O6S." [] synonym: "Aggrastat" RELATED BRAND_NAME [DrugBank:] synonym: "(2S)-2-(butylsulfonylamino)-3-[4-(4-piperidin-4-ylbutoxy)phenyl]propanoic acid hydrochloride monohydrate" RELATED [IUPAC:] synonym: "Tirofiban hydrochloride monohydrate" RELATED [ChemIDplus:] synonym: "N-(butylsulfonyl)-O-(4-piperidin-4-ylbutyl)-L-tyrosine hydrochloride monohydrate" EXACT IUPAC_NAME [IUPAC:] synonym: "Tirofiban HCl" RELATED [ChemIDplus:] synonym: "C22H39ClN2O6S" RELATED FORMULA [ChEBI:] synonym: "O.Cl.CCCCS(=O)(=O)N[C@@H](Cc1ccc(OCCCCC2CCNCC2)cc1)C(O)=O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C22H36N2O5S.ClH.H2O/c1-2-3-16-30(27,28)24-21(22(25)26)17-19-7-9-20(10-8-19)29-15-5-4-6-18-11-13-23-14-12-18;;/h7-10,18,21,23-24H,2-6,11-17H2,1H3,(H,25,26);1H;1H2/t21-;;/m0../s1" RELATED InChI [ChEBI:] synonym: "InChIKey=HWAAPJPFZPHHBC-FGJQBABTSA-N" RELATED InChIKey [ChEBI:] xref: KEGG DRUG:D01029 "KEGG DRUG" xref: ChemIDplus:150915-40-5 "CAS Registry Number" xref: Beilstein:6169319 "Beilstein Registry Number" xref: DrugBank:DB00775 "DrugBank" is_a: CHEBI:36807 relationship: has_part CHEBI:9605 [Term] id: CHEBI:50512 name: lidocaine hydrochloride def: "The anhydrous form of the hydrochloride salt of lidocaine." [] synonym: "2-Diethylamino-2',6'-acetoxylidide hydrochloride" RELATED [ChemIDplus:] synonym: "Lidocaton" RELATED BRAND_NAME [ChEBI:] synonym: "Lidopen" RELATED BRAND_NAME [ChEBI:] synonym: "N-(2,6-dimethylphenyl)-N(2),N(2)-diethylglycinamide hydrochloride" EXACT IUPAC_NAME [IUPAC:] synonym: "omega-Diethylamino-2,6-dimethylacetanilide hydrochloride" RELATED [ChemIDplus:] synonym: "alpha-Diethylamino-2,6-acetoxylidine hydrochloride" RELATED [ChemIDplus:] synonym: "Alphacaine N" RELATED BRAND_NAME [DrugBank:] synonym: "Esracaine" RELATED BRAND_NAME [DrugBank:] synonym: "Alphacaine SP" RELATED BRAND_NAME [DrugBank:] synonym: "Lidocaine hydrochloride anhydrous" RELATED [ChemIDplus:] synonym: "Anestacon" RELATED BRAND_NAME [DrugBank:] synonym: "C14H22N2O.HCl" RELATED FORMULA [KEGG DRUG:] synonym: "C14H23ClN2O" RELATED FORMULA [ChEBI:] synonym: "[Cl-].CC[NH+](CC)CC(=O)Nc1c(C)cccc1C" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C14H22N2O.ClH/c1-5-16(6-2)10-13(17)15-14-11(3)8-7-9-12(14)4;/h7-9H,5-6,10H2,1-4H3,(H,15,17);1H" RELATED InChI [ChEBI:] synonym: "InChIKey=IYBQHJMYDGVZRY-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: KEGG DRUG:D02086 "KEGG DRUG" xref: DrugBank:DB00281 "DrugBank" xref: Beilstein:3917968 "Beilstein Registry Number" xref: ChemIDplus:73-78-9 "CAS Registry Number" is_a: CHEBI:36807 relationship: has_part CHEBI:6456 relationship: has_role CHEBI:36333 relationship: has_role CHEBI:38070 [Term] id: CHEBI:60791 name: lidocaine hydrochloride monohydrate def: "The monohydrate form of lidocaine hydrochloride." [] synonym: "2-(diethylamino)-2',6'-acetoxylidide monohydrochloride monohydrate" RELATED [ChemIDplus:] synonym: "Xylocard" RELATED BRAND_NAME [ChEBI:] synonym: "diethylaminoacet-2,6-xylidide hydrochloride monohydrate" RELATED [ChemIDplus:] synonym: "lidocaine hydrochloride" RELATED [ChemIDplus:] synonym: "2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide monohydrochloride monohydrate" RELATED [ChEBI:] synonym: "N-(2,6-dimethylphenyl)-N(2),N(2)-diethylglycinamide hydrochloride--water (1/1)" EXACT IUPAC_NAME [IUPAC:] synonym: "C14H25ClN2O2" RELATED FORMULA [ChEBI:] synonym: "O.[Cl-].CC[NH+](CC)CC(=O)Nc1c(C)cccc1C" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C14H22N2O.ClH.H2O/c1-5-16(6-2)10-13(17)15-14-11(3)8-7-9-12(14)4;;/h7-9H,5-6,10H2,1-4H3,(H,15,17);1H;1H2" RELATED InChI [ChEBI:] synonym: "InChIKey=YECIFGHRMFEPJK-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: KEGG DRUG:D08127 "KEGG DRUG" xref: KEGG DRUG:6108-05-0 "CAS Registry Number" xref: Reaxys:18845016 "Reaxys Registry Number" xref: DrugBank:DB00281 "DrugBank" xref: ChemIDplus:6108-05-0 "CAS Registry Number" is_a: CHEBI:35505 relationship: has_part CHEBI:50512 relationship: has_role CHEBI:36333 relationship: has_role CHEBI:38070 [Term] id: CHEBI:8094 name: phenylephrine hydrochloride def: "A hydrochloride that has formula C9H13NO2.HCl." [] synonym: "Mydfrin" RELATED BRAND_NAME [DrugBank:] synonym: "Neo-Synephrine" RELATED BRAND_NAME [DrugBank:] synonym: "3-[(1R)-1-hydroxy-2-(methylamino)ethyl]phenol hydrochloride" EXACT IUPAC_NAME [IUPAC:] synonym: "Dionephrine" RELATED BRAND_NAME [DrugBank:] synonym: "C9H13NO2.HCl" RELATED FORMULA [KEGG DRUG:] synonym: "C9H14ClNO2" RELATED FORMULA [ChEBI:] synonym: "[H+].[Cl-].CNC[C@H](O)c1cccc(O)c1" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C9H13NO2.ClH/c1-10-6-9(12)7-3-2-4-8(11)5-7;/h2-5,9-12H,6H2,1H3;1H/t9-;/m0./s1" RELATED InChI [ChEBI:] synonym: "InChIKey=OCYSGIYOVXAGKQ-FVGYRXGTSA-N" RELATED InChIKey [ChEBI:] xref: Beilstein:4158948 "Beilstein Registry Number" xref: Patent:US1954389 "Patent" xref: Patent:US1932347 "Patent" xref: KEGG DRUG:D00511 "KEGG DRUG" xref: ChemIDplus:61-76-7 "CAS Registry Number" xref: DrugBank:DB00388 "DrugBank" relationship: has_part CHEBI:8093 is_a: CHEBI:36807 [Term] id: CHEBI:8429 name: procainamide hydrochloride def: "A hydrochloride which has procainamide as the amino component." [] synonym: "4-amino-N-[2-(diethylamino)ethyl]benzamide hydrochloride" EXACT IUPAC_NAME [IUPAC:] synonym: "Procamide" RELATED BRAND_NAME [DrugBank:] synonym: "PA" RELATED [ChEBI:] synonym: "Procan" RELATED BRAND_NAME [DrugBank:] synonym: "Procanbid" RELATED BRAND_NAME [DrugBank:] synonym: "Procapan" RELATED BRAND_NAME [DrugBank:] synonym: "Pronestyl" RELATED BRAND_NAME [DrugBank:] synonym: "C13H21N3O.HCl" RELATED FORMULA [KEGG DRUG:] synonym: "C13H22ClN3O" RELATED FORMULA [ChEBI:] synonym: "[H+].[Cl-].CCN(CC)CCNC(=O)c1ccc(N)cc1" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C13H21N3O.ClH/c1-3-16(4-2)10-9-15-13(17)11-5-7-12(14)8-6-11;/h5-8H,3-4,9-10,14H2,1-2H3,(H,15,17);1H" RELATED InChI [ChEBI:] synonym: "InChIKey=ABTXGJFUQRCPNH-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: CiteXplore:8253539 "PubMed citation" xref: KEGG DRUG:D00477 "KEGG DRUG" xref: DrugBank:DB01035 "DrugBank" xref: ChemIDplus:614-39-1 "CAS Registry Number" xref: Beilstein:3729517 "Beilstein Registry Number" is_a: CHEBI:36807 relationship: has_part CHEBI:8428 relationship: has_role CHEBI:38070 [Term] id: CHEBI:2640 name: amiloride hydrochloride def: "A hydrochloride that has formula C6H8ClN7O.2H2O.HCl." [] synonym: "N-Amidino-3,5-diamino-6-chloropyrazinecarboxamide hydrochloride dihydrate" EXACT IUPAC_NAME [IUPAC:] synonym: "Amilorid hydrochlorid-2-wasser" RELATED [ChemIDplus:] synonym: "Modamide" RELATED INN [ChemIDplus:] synonym: "C6H8ClN7O.2H2O.HCl" RELATED FORMULA [KEGG DRUG:] synonym: "[H+].O.O.[Cl-].NC(=N)NC(=O)c1nc(Cl)c(N)nc1N" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C6H8ClN7O.ClH.2H2O/c7-2-4(9)13-3(8)1(12-2)5(15)14-6(10)11;;;/h(H4,8,9,13)(H4,10,11,14,15);1H;2*1H2" RELATED InChI [ChEBI:] synonym: "InChIKey=LTKVFMLMEYCWMK-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: Beilstein:4038903 "Beilstein Registry Number" xref: ChemIDplus:17440-83-4 "CAS Registry Number" xref: KEGG DRUG:D00649 "KEGG DRUG" xref: DrugBank:DB00594 "DrugBank" is_a: CHEBI:36807 relationship: has_part CHEBI:2639 [Term] id: CHEBI:50652 name: amodiaquine hydrochloride def: "A hydrochloride that has formula C20H28Cl3N3O3." [] synonym: "4-[(7-chloroquinolin-4-yl)amino]-2-[(diethylamino)methyl]phenol dihydrochloride dihydrate" EXACT IUPAC_NAME [IUPAC:] synonym: "Amodiaquin dihydrochloride dihydrate" RELATED [ChemIDplus:] synonym: "Flavoquine" RELATED BRAND_NAME [DrugBank:] synonym: "C20H28Cl3N3O3" RELATED FORMULA [ChEBI:] synonym: "C20H22ClN3O.2HCl.2H2O" RELATED FORMULA [KEGG DRUG:] synonym: "[H+].[H+].O.O.[Cl-].[Cl-].CCN(CC)Cc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C20H22ClN3O.2ClH.2H2O/c1-3-24(4-2)13-14-11-16(6-8-20(14)25)23-18-9-10-22-19-12-15(21)5-7-17(18)19;;;;/h5-12,25H,3-4,13H2,1-2H3,(H,22,23);2*1H;2*1H2" RELATED InChI [ChEBI:] synonym: "InChIKey=YVNAYSHNIILOJS-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: KEGG DRUG:D02466 "KEGG DRUG" xref: ChemIDplus:6398-98-7 "CAS Registry Number" xref: DrugBank:DB00613 "DrugBank" relationship: has_part CHEBI:2674 is_a: CHEBI:36807 [Term] id: CHEBI:6213 name: (R)-adrenaline hydrochloride def: "A hydrochloride that has formula C9H13NO3.HCl." [] synonym: "4-[(1R)-1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol hydrochloride" EXACT IUPAC_NAME [IUPAC:] synonym: "L-adrenaline hydrochloride" RELATED [ChemIDplus:] synonym: "epinephrine hydrochloride" RELATED [KEGG DRUG:] synonym: "L-epinephrine hydrochloride" RELATED [ChemIDplus:] synonym: "C9H13NO3.HCl" RELATED FORMULA [KEGG DRUG:] synonym: "[H+].[Cl-].CNC[C@H](O)c1ccc(O)c(O)c1" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C9H13NO3.ClH/c1-10-5-9(13)6-2-3-7(11)8(12)4-6;/h2-4,9-13H,5H2,1H3;1H/t9-;/m0./s1" RELATED InChI [ChEBI:] synonym: "InChIKey=ATADHKWKHYVBTJ-FVGYRXGTSA-N" RELATED InChIKey [ChEBI:] xref: DrugBank:DB00668 "DrugBank" xref: Beilstein:6119132 "Beilstein Registry Number" xref: KEGG DRUG:55-31-2 "CAS Registry Number" xref: KEGG DRUG:D00996 "KEGG DRUG" xref: ChemIDplus:55-31-2 "CAS Registry Number" is_a: CHEBI:36807 relationship: has_part CHEBI:28918 [Term] id: CHEBI:50687 name: metronidazole hydrochloride def: "A hydrochloride salt resulting from the mixture of equimolar amounts of metronidazole and hydrogen chloride." [] synonym: "2-Methyl-5-nitroimidazole-1-ethanol hydrochloride" RELATED [ChemIDplus:] synonym: "2-Methyl-5-nitroimidazole-1-ethanol monohydrochloride" RELATED [ChemIDplus:] synonym: "Flagyl" RELATED BRAND_NAME [DrugBank:] synonym: "Metronidazole HCl" RELATED [ChemIDplus:] synonym: "2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethanol hydrochloride" EXACT IUPAC_NAME [IUPAC:] synonym: "C6H10ClN3O3" RELATED FORMULA [ChEBI:] synonym: "Cl.Cc1ncc(n1CCO)[N+]([O-])=O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C6H9N3O3.ClH/c1-5-7-4-6(9(11)12)8(5)2-3-10;/h4,10H,2-3H2,1H3;1H" RELATED InChI [ChEBI:] synonym: "InChIKey=FPTPAIQTXYFGJC-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: CiteXplore:7064251 "PubMed citation" xref: CiteXplore:4003408 "PubMed citation" xref: KEGG DRUG:D05016 "KEGG DRUG" xref: ChemIDplus:69198-10-3 "CAS Registry Number" xref: CiteXplore:7464682 "PubMed citation" xref: Beilstein:11001903 "Beilstein Registry Number" xref: CiteXplore:4083286 "PubMed citation" xref: Reaxys:11001903 "Reaxys Registry Number" xref: DrugBank:DB00916 "DrugBank" is_a: CHEBI:36807 relationship: has_role CHEBI:36047 relationship: has_role CHEBI:22582 relationship: has_role CHEBI:35442 relationship: has_role CHEBI:50685 relationship: has_role CHEBI:50266 relationship: has_part CHEBI:64682 [Term] id: CHEBI:50697 name: minocycline hydrochloride def: "A hydrochloride that has formula C23H27N3O7.HCl." [] synonym: "Arestin" RELATED BRAND_NAME [DrugBank:] synonym: "Solodyn" RELATED BRAND_NAME [DrugBank:] synonym: "Minomycin" RELATED BRAND_NAME [DrugBank:] synonym: "(4S,4aS,5aR,12aS)-4,7-bis(dimethylamino)-3,10,12,12a-tetrahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide hydrochloride" EXACT IUPAC_NAME [IUPAC:] synonym: "Dynacin" RELATED BRAND_NAME [DrugBank:] synonym: "Minocin" RELATED BRAND_NAME [DrugBank:] synonym: "C23H27N3O7.HCl" RELATED FORMULA [ChEBI:] synonym: "C23H28ClN3O7" RELATED FORMULA [ChEBI:] synonym: "C23H27N3O7.Cl.H" RELATED FORMULA [ChEBI:] synonym: "[H+].[Cl-].[H][C@@]12Cc3c(ccc(O)c3C(=O)C1=C(O)[C@]1(O)C(=O)C(C(N)=O)=C(O)[C@@H](N(C)C)[C@]1([H])C2)N(C)C" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C23H27N3O7.ClH/c1-25(2)12-5-6-13(27)15-10(12)7-9-8-11-17(26(3)4)19(29)16(22(24)32)21(31)23(11,33)20(30)14(9)18(15)28;/h5-6,9,11,17,27,29-30,33H,7-8H2,1-4H3,(H2,24,32);1H/t9-,11-,17-,23-;/m0./s1" RELATED InChI [ChEBI:] synonym: "InChIKey=GLMUAFMGXXHGLU-VQAITOIOSA-N" RELATED InChIKey [ChEBI:] xref: Beilstein:4836328 "Beilstein Registry Number" xref: ChemIDplus:13614-98-7 "CAS Registry Number" xref: DrugBank:DB01017 "DrugBank" is_a: CHEBI:36807 relationship: has_part CHEBI:50694 [Term] id: CHEBI:50727 name: mitoxantrone dihydrochloride def: "A hydrochloride that has formula C22H28N4O6.2ClH." [] synonym: "Mitoxantrone hydrochloride" RELATED [ChemIDplus:] synonym: "1,4-dihydroxy-5,8-bis({2-[(2-hydroxyethyl)amino]ethyl}amino)anthracene-9,10-dione dihydrochloride" EXACT IUPAC_NAME [IUPAC:] synonym: "Novantrone" RELATED BRAND_NAME [DrugBank:] synonym: "Novantron" RELATED BRAND_NAME [DrugBank:] synonym: "C22H28N4O6.2ClH" RELATED FORMULA [ChemIDplus:] synonym: "C22H30Cl2N4O6" RELATED FORMULA [ChEBI:] synonym: "C22H28N4O6.2HCl" RELATED FORMULA [KEGG DRUG:] synonym: "Cl.Cl.OCCNCCNc1ccc(NCCNCCO)c2C(=O)c3c(O)ccc(O)c3C(=O)c12" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C22H28N4O6.2ClH/c27-11-9-23-5-7-25-13-1-2-14(26-8-6-24-10-12-28)18-17(13)21(31)19-15(29)3-4-16(30)20(19)22(18)32;;/h1-4,23-30H,5-12H2;2*1H" RELATED InChI [ChEBI:] synonym: "InChIKey=ZAHQPTJLOCWVPG-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: ChemIDplus:70476-82-3 "CAS Registry Number" xref: KEGG DRUG:D02166 "KEGG DRUG" xref: DrugBank:DB01204 "DrugBank" xref: Beilstein:4835931 "Beilstein Registry Number" is_a: CHEBI:36807 relationship: has_part CHEBI:50729 relationship: has_role CHEBI:35610 [Term] id: CHEBI:8460 name: promazine hydrochloride def: "A hydrochloride that has formula C17H20N2S.HCl." [] synonym: "Protactyl" RELATED BRAND_NAME [DrugBank:] synonym: "N,N-dimethyl-3-(10H-phenothiazin-10-yl)propan-1-amine hydrochloride" EXACT IUPAC_NAME [IUPAC:] synonym: "10H-Phenothiazine-10-propanamine, N,N-dimethyl-,monohydrochloride" RELATED [ChemIDplus:] synonym: "10-(gamma-Dimethylamino-n-propyl)phenothiazine hydrochloride" RELATED [ChemIDplus:] synonym: "10-(3-(Dimethylamino)propyl)phenothiazine monohydrochloride" RELATED [ChemIDplus:] synonym: "C17H20N2S.HCl" RELATED FORMULA [KEGG DRUG:] synonym: "C17H21ClN2S" RELATED FORMULA [ChEBI:] synonym: "[H+].[Cl-].CN(C)CCCN1c2ccccc2Sc2ccccc12" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C17H20N2S.ClH/c1-18(2)12-7-13-19-14-8-3-5-10-16(14)20-17-11-6-4-9-15(17)19;/h3-6,8-11H,7,12-13H2,1-2H3;1H" RELATED InChI [ChEBI:] synonym: "InChIKey=JIVSXRLRGOICGA-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: ChemIDplus:53-60-1 "CAS Registry Number" xref: Beilstein:3753230 "Beilstein Registry Number" xref: DrugBank:DB00420 "DrugBank" xref: KEGG DRUG:D00797 "KEGG DRUG" relationship: has_part CHEBI:8459 is_a: CHEBI:36807 [Term] id: CHEBI:50740 name: raloxifene hydrochloride def: "A hydrochloride that has formula C28H27NO4S.HCl." [] synonym: "Evista" RELATED BRAND_NAME [DrugBank:] synonym: "[6-hydroxy-2-(4-hydroxyphenyl)-1-benzothien-3-yl][4-(2-piperidin-1-ylethoxy)phenyl]methanone hydrochloride" EXACT IUPAC_NAME [IUPAC:] synonym: "6-Hydroxy-2-(p-hydroxyphenyl)benzo(b)thien-3-yl-p-(2-piperidinoethoxy)phenyl ketone, hydrochloride" RELATED [ChemIDplus:] synonym: "C28H27NO4S.HCl" RELATED FORMULA [KEGG DRUG:] synonym: "C28H28ClNO4S" RELATED FORMULA [ChEBI:] synonym: "[H+].[Cl-].Oc1ccc(cc1)-c1sc2cc(O)ccc2c1C(=O)c1ccc(OCCN2CCCCC2)cc1" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C28H27NO4S.ClH/c30-21-8-4-20(5-9-21)28-26(24-13-10-22(31)18-25(24)34-28)27(32)19-6-11-23(12-7-19)33-17-16-29-14-2-1-3-15-29;/h4-13,18,30-31H,1-3,14-17H2;1H" RELATED InChI [ChEBI:] synonym: "InChIKey=BKXVVCILCIUCLG-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: DrugBank:DB00481 "DrugBank" xref: Beilstein:6036780 "Beilstein Registry Number" xref: ChemIDplus:82640-04-8 "CAS Registry Number" xref: KEGG DRUG:D02217 "KEGG DRUG" relationship: has_part CHEBI:8772 is_a: CHEBI:36807 [Term] id: CHEBI:31780 name: lofepramine hydrochloride def: "A tricyclic antidepressant that has formula C26H27ClN2O.HCl." [] synonym: "Lofepramine hydrochloride" EXACT [ChemIDplus:] synonym: "1-(4-chlorophenyl)-2-((3-(10,11-dihydro-5H-dibenz(b,f)azepin-5-yl)propyl)methylamino)ethan-1-one monohydrochloride" RELATED [ChemIDplus:] synonym: "1-(4-chlorophenyl)-2-{[3-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)propyl]methylamino}ethanone hydrochloride" RELATED [ChEBI:] synonym: "1-(4-chlorophenyl)-2-{[3-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)propyl](methyl)amino}ethanone hydrochloride" EXACT IUPAC_NAME [IUPAC:] synonym: "clopepramine hydrochloride" RELATED [ChemIDplus:] synonym: "Gamonil" RELATED [ChemIDplus:] synonym: "4'-chloro-2-((3-(10,11-dihydro-5H-dibenz(b,f)azepin-5-yl)propyl)methylamino)acetophenone monohydrochloride" RELATED [ChemIDplus:] synonym: "C26H27ClN2O.HCl" RELATED FORMULA [KEGG DRUG:] synonym: "Cl[H].CN(CCCN1c2ccccc2CCc2ccccc12)CC(=O)c1ccc(Cl)cc1" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C26H27ClN2O.ClH/c1-28(19-26(30)22-13-15-23(27)16-14-22)17-6-18-29-24-9-4-2-7-20(24)11-12-21-8-3-5-10-25(21)29;/h2-5,7-10,13-16H,6,11-12,17-19H2,1H3;1H" RELATED InChI [ChEBI:] synonym: "InChIKey=ZWZIQPOLMDPIQM-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: Beilstein:6555366 "Beilstein Registry Number" xref: KEGG DRUG:D01285 "KEGG DRUG" xref: ChemIDplus:26786-32-3 "CAS Registry Number" is_a: CHEBI:36809 relationship: has_part CHEBI:47782 is_a: CHEBI:36807 [Term] id: CHEBI:8598 name: protriptyline hydrochloride def: "A tricyclic antidepressant that has formula C19H21N.HCl." [] synonym: "3-(5H-dibenzo[a,d][7]annulen-5-yl)-N-methylpropan-1-aminium chloride" EXACT IUPAC_NAME [IUPAC:] synonym: "MK-240" RELATED [ChemIDplus:] synonym: "Protriptyline hydrochloride" EXACT [ChemIDplus:] synonym: "Triptil" RELATED [ChemIDplus:] synonym: "Concordin" RELATED [ChemIDplus:] synonym: "C19H21N.HCl" RELATED FORMULA [KEGG DRUG:] synonym: "C19H22ClN" RELATED FORMULA [ChEBI:] synonym: "[Cl-].[H][N+]([H])(C)CCCC1c2ccccc2C=Cc2ccccc12" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C19H21N.ClH/c1-20-14-6-11-19-17-9-4-2-7-15(17)12-13-16-8-3-5-10-18(16)19;/h2-5,7-10,12-13,19-20H,6,11,14H2,1H3;1H" RELATED InChI [ChEBI:] synonym: "InChIKey=OGQDIIKRQRZXJH-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: Beilstein:6248587 "Beilstein Registry Number" xref: ChemIDplus:1225-55-4 "CAS Registry Number" xref: KEGG DRUG:D00484 "KEGG DRUG" is_a: CHEBI:36809 relationship: has_part CHEBI:8597 is_a: CHEBI:36807 [Term] id: CHEBI:50854 name: hydrocortamate hydrochloride def: "A hydrochloride that has formula C27H41NO6.ClH." [] synonym: "11beta,17-dihydroxy-3,20-dioxopregn-4-en-21-yl N,N-diethylglycinate hydrochloride" EXACT IUPAC_NAME [IUPAC:] synonym: "C27H41NO6.ClH" RELATED FORMULA [ChemIDplus:] synonym: "[H+].[Cl-].[H][C@@]12CCC3=CC(=O)CC[C@]3(C)[C@@]1([H])[C@@H](O)C[C@@]1(C)[C@@]2([H])CC[C@]1(O)C(=O)COC(=O)CN(CC)CC" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C27H41NO6.ClH/c1-5-28(6-2)15-23(32)34-16-22(31)27(33)12-10-20-19-8-7-17-13-18(29)9-11-25(17,3)24(19)21(30)14-26(20,27)4;/h13,19-21,24,30,33H,5-12,14-16H2,1-4H3;1H/t19-,20-,21-,24+,25-,26-,27-;/m0./s1" RELATED InChI [ChEBI:] synonym: "InChIKey=AKQNAIYKSALPKV-OYHXESGYSA-N" RELATED InChIKey [ChEBI:] xref: ChemIDplus:125-03-1 "CAS Registry Number" xref: DrugBank:DB00769 "DrugBank" is_a: CHEBI:36807 relationship: has_functional_parent CHEBI:50851 [Term] id: CHEBI:8492 name: propiomazine hydrochloride def: "A hydrochloride that has formula C20H24N2OS.HCl." [] synonym: "1-(10-(2-(Dimethylamino)propyl)phenothiazin-2-yl)-1-propanone monohydrochloride" RELATED [ChemIDplus:] synonym: "Propiomazine hydrochloride" EXACT [KEGG COMPOUND:] synonym: "Largon" RELATED [KEGG COMPOUND:] synonym: "1-{10-[2-(dimethylamino)propyl]-10H-phenothiazin-2-yl}propan-1-one hydrochloride" EXACT IUPAC_NAME [IUPAC:] synonym: "C20H24N2OS.HCl" RELATED FORMULA [KEGG COMPOUND:] synonym: "[H+].[Cl-].CCC(=O)c1ccc2Sc3ccccc3N(CC(C)N(C)C)c2c1" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C20H24N2OS.ClH/c1-5-18(23)15-10-11-20-17(12-15)22(13-14(2)21(3)4)16-8-6-7-9-19(16)24-20;/h6-12,14H,5,13H2,1-4H3;1H" RELATED InChI [ChEBI:] synonym: "InChIKey=UGVNGSMLNPWNNA-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: KEGG COMPOUND:C07384 "KEGG COMPOUND" xref: DrugBank:DB00777 "DrugBank" xref: Beilstein:3783816 "Beilstein Registry Number" xref: ChemIDplus:1240-15-9 "CAS Registry Number" is_a: CHEBI:36807 relationship: has_part CHEBI:8491 [Term] id: CHEBI:32314 name: ziprasidone hydrochloride hydrate def: "The hydrochloride hydrate salt of ziprasidone." [] synonym: "5-{2-[4-(1,2-benzisothiazol-3-yl)piperazin-1-yl]ethyl}-6-chloro-1,3-dihydro-2H-indol-2-one hydrochloride hydrate" EXACT IUPAC_NAME [IUPAC:] synonym: "Geodon" RELATED BRAND_NAME [DrugBank:] synonym: "Ziprasidone hydrochloride monohydrate" RELATED [ChemIDplus:] synonym: "C21H21ClN4OS.H2O.HCl" RELATED FORMULA [KEGG DRUG:] synonym: "C21H24Cl2N4O2S" RELATED FORMULA [ChEBI:] synonym: "[H+].O.[Cl-].Clc1cc2NC(=O)Cc2cc1CCN1CCN(CC1)c1nsc2ccccc12" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C21H21ClN4OS.ClH.H2O/c22-17-13-18-15(12-20(27)23-18)11-14(17)5-6-25-7-9-26(10-8-25)21-16-3-1-2-4-19(16)28-24-21;;/h1-4,11,13H,5-10,12H2,(H,23,27);1H;1H2" RELATED InChI [ChEBI:] synonym: "InChIKey=ZCBZSCBNOOIHFP-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: DrugBank:DB00246 "DrugBank" xref: KEGG DRUG:D01939 "KEGG DRUG" xref: KEGG DRUG:138982-67-9 "CAS Registry Number" xref: ChemIDplus:138982-67-9 "CAS Registry Number" is_a: CHEBI:36807 relationship: has_part CHEBI:10119 is_a: CHEBI:35505 [Term] id: CHEBI:8462 name: promethazine hydrochloride def: "The hydrochloride salt of promethazine." [] synonym: "N-(2'-dimethylamino-2'-methyl)ethylphenothiazine hydrochloride" RELATED [ChemIDplus:] synonym: "10-(3-Dimethylaminoisopropyl)phenothiazine hydrochloride" RELATED [ChemIDplus:] synonym: "N-(2-dimethylaminopropyl-1)phenothiazine hydrochloride" RELATED [ChemIDplus:] synonym: "Fenergan" RELATED BRAND_NAME [DrugBank:] synonym: "Phenergan" RELATED BRAND_NAME [DrugBank:] synonym: "(+-)-10-(2-(Dimethylamino)propyl)phenothiazine monohydrochloride" RELATED [ChemIDplus:] synonym: "N,N-dimethyl-1-(10H-phenothiazin-10-yl)propan-2-amine hydrochloride" EXACT IUPAC_NAME [IUPAC:] synonym: "promethazine HCl" RELATED [ChemIDplus:] synonym: "10-(2-Dimethylamino-1-propyl)phenothiazine hydrochloride" RELATED [ChemIDplus:] synonym: "C17H20N2S.HCl" RELATED FORMULA [KEGG DRUG:] synonym: "C17H21ClN2S" RELATED FORMULA [ChEBI:] synonym: "Cl.CC(CN1c2ccccc2Sc2ccccc12)N(C)C" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C17H20N2S.ClH/c1-13(18(2)3)12-19-14-8-4-6-10-16(14)20-17-11-7-5-9-15(17)19;/h4-11,13H,12H2,1-3H3;1H" RELATED InChI [ChEBI:] synonym: "InChIKey=XXPDBLUZJRXNNZ-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: DrugBank:DB01069 "DrugBank" xref: ChemIDplus:58-33-3 "CAS Registry Number" xref: Beilstein:4166397 "Beilstein Registry Number" xref: KEGG DRUG:D00480 "KEGG DRUG" xref: CiteXplore:6196640 "PubMed citation" is_a: CHEBI:36807 relationship: has_role CHEBI:59683 relationship: has_role CHEBI:37955 relationship: has_role CHEBI:36333 relationship: has_role CHEBI:50919 relationship: has_role CHEBI:35717 relationship: has_role CHEBI:50857 relationship: has_part CHEBI:61214 [Term] id: CHEBI:9655 name: trazodone hydrochloride def: "A hydrochloride salt prepared from equimolar amounts of trazodone and hydrogen chloride." [] synonym: "2-(3-(4-(m-Chlorophenyl)-1-piperazinyl)propyl)-s-triazolo(4,3-a)pyridin-3(2H)-one monohydrochloride" RELATED [ChemIDplus:] synonym: "2-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one hydrochloride" EXACT IUPAC_NAME [IUPAC:] synonym: "Trazodone HCl" RELATED [ChemIDplus:] synonym: "Desyrel" RELATED BRAND_NAME [KEGG DRUG:] synonym: "C19H22ClN5O.HCl" RELATED FORMULA [KEGG DRUG:] synonym: "C19H23Cl2N5O" RELATED FORMULA [ChEBI:] synonym: "[H+].[Cl-].Clc1cccc(c1)N1CCN(CCCn2nc3ccccn3c2=O)CC1" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C19H22ClN5O.ClH/c20-16-5-3-6-17(15-16)23-13-11-22(12-14-23)8-4-10-25-19(26)24-9-2-1-7-18(24)21-25;/h1-3,5-7,9,15H,4,8,10-14H2;1H" RELATED InChI [ChEBI:] synonym: "InChIKey=OHHDIOKRWWOXMT-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: DrugBank:DB00656 "DrugBank" xref: Beilstein:5688374 "Beilstein Registry Number" xref: KEGG DRUG:D00820 "KEGG DRUG" xref: ChemIDplus:25332-39-2 "CAS Registry Number" is_a: CHEBI:36807 relationship: has_part CHEBI:9654 relationship: has_role CHEBI:50949 relationship: has_role CHEBI:37955 relationship: has_role CHEBI:37887 relationship: has_role CHEBI:35717 relationship: has_role CHEBI:35469 [Term] id: CHEBI:9712 name: triflupromazine hydrochloride def: "A hydrochloride that has formula C18H19F3N2S.HCl." [] synonym: "10-(3-(Dimethylamino)propyl)-2-(trifluoromethyl)phenothiazine monohydrochloride" RELATED [ChemIDplus:] synonym: "Triflupromazine HCl" RELATED [ChemIDplus:] synonym: "10-(3-Dimethylaminopropyl)-2-(trifluoromethyl)phenothiazine hydrochloride" RELATED [ChemIDplus:] synonym: "Fluopromazine monohydrochloride" RELATED [ChemIDplus:] synonym: "Triflupromazine hydrochloride" EXACT [ChemIDplus:] synonym: "Triflupromazine monohydrochloride" RELATED [ChemIDplus:] synonym: "N,N-dimethyl-3-[2-(trifluoromethyl)-10H-phenothiazin-10-yl]propan-1-amine hydrochloride" EXACT IUPAC_NAME [IUPAC:] synonym: "Trifluopromazine hydrochloride" RELATED [ChemIDplus:] synonym: "C18H19F3N2S.HCl" RELATED FORMULA [KEGG DRUG:] synonym: "[H+].[Cl-].CN(C)CCCN1c2ccccc2Sc2ccc(cc12)C(F)(F)F" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C18H19F3N2S.ClH/c1-22(2)10-5-11-23-14-6-3-4-7-16(14)24-17-9-8-13(12-15(17)23)18(19,20)21;/h3-4,6-9,12H,5,10-11H2,1-2H3;1H" RELATED InChI [ChEBI:] synonym: "InChIKey=FTNWXGFYRHWUKG-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: KEGG DRUG:D00800 "KEGG DRUG" xref: DrugBank:DB00508 "DrugBank" xref: ChemIDplus:1098-60-8 "CAS Registry Number" xref: Beilstein:3801519 "Beilstein Registry Number" is_a: CHEBI:36807 relationship: has_part CHEBI:9711 [Term] id: CHEBI:51025 name: methixene hydrochloride def: "A hydrate that has formula C20H26ClNOS." [] synonym: "1-methyl-3-(9H-thioxanthen-9-ylmethyl)piperidine hydrochloride monohydrate" EXACT IUPAC_NAME [IUPAC:] synonym: "Methixene HCl" RELATED [ChemIDplus:] synonym: "1-Methyl-3-(thioxanthen-9-ylmethyl)piperidine hydrochloride monohydrate" RELATED [ChemIDplus:] synonym: "Methixene hydrochloride hydrate" RELATED [KEGG DRUG:] synonym: "C20H26ClNOS" RELATED FORMULA [ChEBI:] synonym: "C20H23NS.HCl.H2O" RELATED FORMULA [KEGG DRUG:] synonym: "[H+].O.[Cl-].CN1CCCC(CC2c3ccccc3Sc3ccccc23)C1" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C20H23NS.ClH.H2O/c1-21-12-6-7-15(14-21)13-18-16-8-2-4-10-19(16)22-20-11-5-3-9-17(18)20;;/h2-5,8-11,15,18H,6-7,12-14H2,1H3;1H;1H2" RELATED InChI [ChEBI:] synonym: "InChIKey=RAOHHYUBMJLHNC-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: DrugBank:DB00340 "DrugBank" xref: ChemIDplus:7081-40-5 "CAS Registry Number" xref: KEGG DRUG:D01871 "KEGG DRUG" relationship: has_part CHEBI:51024 is_a: CHEBI:36807 is_a: CHEBI:35505 [Term] id: CHEBI:31228 name: apomorphine hydrochloride def: "A hydrate that has formula C34H38Cl2N2O5." [] synonym: "Apmorphine hydrochloride hemihydrate" RELATED [ChemIDplus:] synonym: "bis(6abeta-aporphine-10,11-diol) dihydrochloride hydrate" EXACT IUPAC_NAME [IUPAC:] synonym: "(6aR)-5,6,6a,7-Tetrahydro-6-methyl-4H-dibenzo(de,g)chinolin-10,11-diol hydrochlorid" RELATED [ChemIDplus:] synonym: "Apomorphine HCl" RELATED [ChemIDplus:] synonym: "6abeta-Aporphine-10,11-diol hydrochloride hemihydrate" RELATED [ChemIDplus:] synonym: "Apomorphin hydrochlorid wasser (2/1)" RELATED [ChemIDplus:] synonym: "C34H38Cl2N2O5" RELATED FORMULA [ChEBI:] synonym: "(C17H17NO2)2.2HCl.H2O" RELATED FORMULA [KEGG DRUG:] synonym: "[H+].[H+].O.[Cl-].[Cl-].[H][C@]12Cc3ccc(O)c(O)c3-c3cccc(CCN1C)c23.[H][C@]12Cc3ccc(O)c(O)c3-c3cccc(CCN1C)c23" RELATED SMILES [ChEBI:] synonym: "InChI=1S/2C17H17NO2.2ClH.H2O/c2*1-18-8-7-10-3-2-4-12-15(10)13(18)9-11-5-6-14(19)17(20)16(11)12;;;/h2*2-6,13,19-20H,7-9H2,1H3;2*1H;1H2/t2*13-;;;/m11.../s1" RELATED InChI [ChEBI:] synonym: "InChIKey=CXWQXGNFZLHLHQ-DPFCLETOSA-N" RELATED InChIKey [ChEBI:] xref: KEGG DRUG:D02004 "KEGG DRUG" xref: ChemIDplus:41372-20-7 "CAS Registry Number" xref: DrugBank:DB00714 "DrugBank" is_a: CHEBI:36807 relationship: has_part CHEBI:48538 is_a: CHEBI:35505 [Term] id: CHEBI:51037 name: epinastine hydrochloride def: "A hydrochloride that has formula C16H16ClN3." [] synonym: "C16H16ClN3" RELATED FORMULA [ChEBI:] synonym: "[H+].[Cl-].NC1=NCC2N1c1ccccc1Cc1ccccc21" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C16H15N3.ClH/c17-16-18-10-15-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)19(15)16;/h1-8,15H,9-10H2,(H2,17,18);1H" RELATED InChI [ChEBI:] synonym: "InChIKey=VKXSGUIOOQPGAF-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: Beilstein:3576207 "Beilstein Registry Number" xref: DrugBank:DB00751 "DrugBank" is_a: CHEBI:36807 relationship: has_part CHEBI:51032 [Term] id: CHEBI:51040 name: minaprine hydrochloride def: "A hydrochloride that has formula C17H22N4O.2HCl." [] synonym: "Minaprine HCl" RELATED [ChemIDplus:] synonym: "4-methyl-N-(2-morpholin-4-ylethyl)-6-phenylpyridazin-3-amine dihydrochloride" EXACT IUPAC_NAME [IUPAC:] synonym: "N-(4-Methyl-6-phenyl-3-pyridazinyl)-4-morpholineethanamine dihydrochloride" RELATED [ChemIDplus:] synonym: "Minaprine dihydrochloride" RELATED [ChemIDplus:] synonym: "3-(2-Morpholinoethylamino)-4-methyl-6-phenylpyridazine dihydrochloride" RELATED [ChemIDplus:] synonym: "4-(2-((4-Methyl-6-phenyl-3-pyridazinyl)amino)ethyl)morpholine dihydrochloride" RELATED [ChemIDplus:] synonym: "C17H22N4O.2HCl" RELATED FORMULA [KEGG DRUG:] synonym: "C17H24Cl2N4O" RELATED FORMULA [ChEBI:] synonym: "[H+].[H+].[Cl-].[Cl-].Cc1cc(nnc1NCCN1CCOCC1)-c1ccccc1" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C17H22N4O.2ClH/c1-14-13-16(15-5-3-2-4-6-15)19-20-17(14)18-7-8-21-9-11-22-12-10-21;;/h2-6,13H,7-12H2,1H3,(H,18,20);2*1H" RELATED InChI [ChEBI:] synonym: "InChIKey=GNUCGROXDZMCJI-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: ChemIDplus:25953-17-7 "CAS Registry Number" xref: Beilstein:6024029 "Beilstein Registry Number" xref: KEGG DRUG:D05040 "KEGG DRUG" xref: DrugBank:DB00805 "DrugBank" relationship: has_part CHEBI:51038 is_a: CHEBI:36807 [Term] id: CHEBI:4449 name: desipramine hydrochloride def: "A hydrochloride that has formula C18H23ClN2." [] synonym: "10,11-Dihydro-5-(3-(methylamino)propyl)-5H-dibenz(b,f)azepine monohydrochloride" RELATED [ChemIDplus:] synonym: "Desmethylimipramine monohydrochloride" RELATED [ChemIDplus:] synonym: "Desmethylimipramine hydrochloride" RELATED [ChemIDplus:] synonym: "Desimipramine, hydrochloride" RELATED [ChemIDplus:] synonym: "3-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-N-methylpropan-1-amine hydrochloride" EXACT IUPAC_NAME [IUPAC:] synonym: "10,11-Dihydro-5-(3-(methylamino)propyl)-5H-dibenz(b,f)azepine hydrochloride" RELATED [ChemIDplus:] synonym: "N-(gamma-Methylaminopropyl)iminodibenzyl hydrochloride" RELATED [ChemIDplus:] synonym: "DMI hydrochloride" RELATED [ChemIDplus:] synonym: "Desipramine monohydrochloride" RELATED [ChemIDplus:] synonym: "Demethylimipramine hydrochloride" RELATED [ChemIDplus:] synonym: "Desmethylimipramine chloride" RELATED [ChemIDplus:] synonym: "Desipramine HCl" RELATED [ChemIDplus:] synonym: "Imipraminedemethyl hydrochloride" RELATED [ChemIDplus:] synonym: "C18H23ClN2" RELATED FORMULA [ChEBI:] synonym: "C18H22N2.HCl" RELATED FORMULA [KEGG DRUG:] synonym: "[H+].[Cl-].CNCCCN1c2ccccc2CCc2ccccc12" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C18H22N2.ClH/c1-19-13-6-14-20-17-9-4-2-7-15(17)11-12-16-8-3-5-10-18(16)20;/h2-5,7-10,19H,6,11-14H2,1H3;1H" RELATED InChI [ChEBI:] synonym: "InChIKey=XAEWZDYWZHIUCT-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: ChemIDplus:58-28-6 "CAS Registry Number" xref: KEGG DRUG:D00812 "KEGG DRUG" xref: DrugBank:DB01151 "DrugBank" xref: Beilstein:4166006 "Beilstein Registry Number" relationship: has_part CHEBI:47781 is_a: CHEBI:36807 [Term] id: CHEBI:51045 name: cyclizine hydrochloride def: "A hydrochloride salt consisting of equimolar amounts of cyclizine and hydrogen chloride." [] synonym: "1-(Diphenylmethyl)-4-methylpiperazine monohydrochloride" RELATED [ChemIDplus:] synonym: "1-(diphenylmethyl)-4-methylpiperazine hydrochloride" EXACT IUPAC_NAME [IUPAC:] synonym: "cyclizine monohydrochloride" RELATED [ChemIDplus:] synonym: "Cyclizine HCl" RELATED [ChemIDplus:] synonym: "Valoid" RELATED BRAND_NAME [ChEBI:] synonym: "(+-)-1-diphenylmethyl-4-methylpiperazine hydrochloride" RELATED [ChemIDplus:] synonym: "C18H23ClN2" RELATED FORMULA [ChEBI:] synonym: "C18H22N2.HCl" RELATED FORMULA [KEGG DRUG:] synonym: "Cl.CN1CCN(CC1)C(c1ccccc1)c1ccccc1" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C18H22N2.ClH/c1-19-12-14-20(15-13-19)18(16-8-4-2-5-9-16)17-10-6-3-7-11-17;/h2-11,18H,12-15H2,1H3;1H" RELATED InChI [ChEBI:] synonym: "InChIKey=UKPBEPCQTDRZSE-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: Beilstein:3743457 "Beilstein Registry Number" xref: KEGG DRUG:D03622 "KEGG DRUG" xref: ChemIDplus:303-25-3 "CAS Registry Number" xref: DrugBank:DB01176 "DrugBank" is_a: CHEBI:36807 relationship: has_part CHEBI:3994 relationship: has_role CHEBI:37955 relationship: has_role CHEBI:35488 relationship: has_role CHEBI:48873 relationship: has_role CHEBI:50919 [Term] id: CHEBI:5791 name: hydromorphone hydrochloride def: "A hydrochloride that has formula C17H19NO3.HCl." [] synonym: "3-hydroxy-17-methyl-4,5alpha-epoxymorphinan-6-one hydrochloride" EXACT IUPAC_NAME [IUPAC:] synonym: "4,5-alpha-Epoxy-3-hydroxy-17-methylmorphinan-6-one hydrochloride" RELATED [ChemIDplus:] synonym: "Dihydromorphinone hydrochloride" RELATED [ChemIDplus:] synonym: "Hydromorphone HCl" RELATED [ChemIDplus:] synonym: "C17H19NO3.HCl" RELATED FORMULA [KEGG DRUG:] synonym: "C17H20ClNO3" RELATED FORMULA [ChEBI:] synonym: "[H+].[Cl-].[H][C@]12CCC(=O)[C@@H]3Oc4c(O)ccc5C[C@H]1N(C)CC[C@@]23c45" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C17H19NO3.ClH/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18;/h2,4,10-11,16,19H,3,5-8H2,1H3;1H/t10-,11+,16-,17-;/m0./s1" RELATED InChI [ChEBI:] synonym: "InChIKey=XHILEZUETWRSHC-NRGUFEMZSA-N" RELATED InChIKey [ChEBI:] xref: DrugBank:DB00327 "DrugBank" xref: Beilstein:4731289 "Beilstein Registry Number" xref: KEGG DRUG:D00839 "KEGG DRUG" xref: ChemIDplus:71-68-1 "CAS Registry Number" relationship: has_part CHEBI:5790 is_a: CHEBI:36807 [Term] id: CHEBI:9087 name: selegiline hydrochloride def: "A hydrochloride that has formula C13H18NCl." [] synonym: "(-)-phenylisopropylmethylpropynylamine" RELATED [ChemIDplus:] synonym: "Selegiline hydrochloride" EXACT [KEGG COMPOUND:] synonym: "Selegiline HCl" RELATED [ChemIDplus:] synonym: "Zelapar" RELATED BRAND_NAME [DrugBank:] synonym: "Eldepryl" RELATED BRAND_NAME [KEGG DRUG:] synonym: "selegiline hydrochloride" RELATED INN [ChEBI:] synonym: "N-methyl-N-[(1R)-1-methyl-2-phenylethyl]prop-2-yn-1-aminium chloride" EXACT IUPAC_NAME [IUPAC:] synonym: "C13H18NCl" RELATED FORMULA [ChEBI:] synonym: "C13H17N.HCl" RELATED FORMULA [KEGG COMPOUND:] synonym: "[Cl-].[H][N+](C)(CC#C)[C@H](C)Cc1ccccc1" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C13H17N.ClH/c1-4-10-14(3)12(2)11-13-8-6-5-7-9-13;/h1,5-9,12H,10-11H2,2-3H3;1H/t12-;/m1./s1" RELATED InChI [ChEBI:] synonym: "InChIKey=IYETZZCWLLUHIJ-UTONKHPSSA-N" RELATED InChIKey [ChEBI:] xref: KEGG DRUG:D00785 "KEGG DRUG" xref: Beilstein:6001504 "Beilstein Registry Number" xref: KEGG COMPOUND:C07948 "KEGG COMPOUND" xref: DrugBank:DB01037 "DrugBank" xref: ChemIDplus:14611-52-0 "CAS Registry Number" xref: KEGG COMPOUND:14611-52-0 "CAS Registry Number" relationship: has_role CHEBI:48407 relationship: has_role CHEBI:48560 relationship: has_role CHEBI:38623 relationship: has_part CHEBI:50350 is_a: CHEBI:36807 [Term] id: CHEBI:31843 name: mianserin hydrochloride def: "A hydrochloride that has formula C18H21ClN2." [] synonym: "1,2,3,4,10,14b-Hexahydro-2-methyldibenzo(c,f)-pyrazino(1,2-a)azepine monohydrochloride" RELATED [ChemIDplus:] synonym: "2-methyl-1,2,3,4,10,14b-hexahydrodibenzo[c,f]pyrazino[1,2-a]azepine hydrochloride" EXACT IUPAC_NAME [IUPAC:] synonym: "1,2,3,4,10,14b-Hexahydro-2-methyldibenzo(c,f)pyrazino(1,2-a)azepine hydrochloride" RELATED [ChemIDplus:] synonym: "Mianserine hydrochloride" RELATED [ChemIDplus:] synonym: "Dibenzo(c,f)pyrazino(1,2-a)azepine, 1,2,3,4,10,14b-hexahydro-2-methyl-, monohydrochloride" RELATED [ChemIDplus:] synonym: "C18H21ClN2" RELATED FORMULA [ChEBI:] synonym: "[H+].[Cl-].CN1CCN2C(C1)c1ccccc1Cc1ccccc21" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C18H20N2.ClH/c1-19-10-11-20-17-9-5-3-7-15(17)12-14-6-2-4-8-16(14)18(20)13-19;/h2-9,18H,10-13H2,1H3;1H" RELATED InChI [ChEBI:] synonym: "InChIKey=YNPFMWCWRVTGKJ-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: Beilstein:4280594 "Beilstein Registry Number" xref: KEGG DRUG:D01358 "KEGG DRUG" xref: DrugBank:DB06148 "DrugBank" is_a: CHEBI:36807 relationship: has_part CHEBI:51137 [Term] id: CHEBI:9944 name: venlafaxine hydrochloride def: "A hydrochloride that has formula C17H27NO2.HCl." [] synonym: "Wy 45030" RELATED [ChemIDplus:] synonym: "1-[2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]cyclohexanol hydrochloride" EXACT IUPAC_NAME [IUPAC:] synonym: "(+-)-1-(alpha-((Dimethylamino)methyl)-p-methoxybenzyl)cyclohexanol hydrochloride" RELATED [ChemIDplus:] synonym: "Venlafaxine HCl" RELATED [ChemIDplus:] synonym: "C17H27NO2.HCl" RELATED FORMULA [KEGG DRUG:] synonym: "[H+].[Cl-].COc1ccc(cc1)C(CN(C)C)C1(O)CCCCC1" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C17H27NO2.ClH/c1-18(2)13-16(17(19)11-5-4-6-12-17)14-7-9-15(20-3)10-8-14;/h7-10,16,19H,4-6,11-13H2,1-3H3;1H" RELATED InChI [ChEBI:] synonym: "InChIKey=QYRYFNHXARDNFZ-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: KEGG DRUG:D00821 "KEGG DRUG" xref: Beilstein:4240401 "Beilstein Registry Number" xref: ChemIDplus:99300-78-4 "CAS Registry Number" xref: DrugBank:DB00285 "DrugBank" is_a: CHEBI:36807 relationship: has_part CHEBI:9943 [Term] id: CHEBI:32286 name: alfuzosin hydrochloride def: "A hydrochloride that has formula C19H27N5O4.HCl." [] synonym: "N-{3-[(4-amino-6,7-dimethoxyquinazolin-2-yl)(methyl)amino]propyl}tetrahydrofuran-2-carboxamide hydrochloride" EXACT IUPAC_NAME [IUPAC:] synonym: "(+-)-N-(3-((4-Amino-6,7-dimethoxy-2-quinazolinyl)methylamino)propyl)tetrahydro-2-furamide monohydrochloride" RELATED [ChemIDplus:] synonym: "Uroxatral" RELATED BRAND_NAME [DrugBank:] synonym: "C19H27N5O4.HCl" RELATED FORMULA [KEGG DRUG:] synonym: "C19H28ClN5O4" RELATED FORMULA [ChEBI:] synonym: "[H+].[Cl-].COc1cc2nc(nc(N)c2cc1OC)N(C)CCCNC(=O)C1CCCO1" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C19H27N5O4.ClH/c1-24(8-5-7-21-18(25)14-6-4-9-28-14)19-22-13-11-16(27-3)15(26-2)10-12(13)17(20)23-19;/h10-11,14H,4-9H2,1-3H3,(H,21,25)(H2,20,22,23);1H" RELATED InChI [ChEBI:] synonym: "InChIKey=YTNKWDJILNVLGX-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: ChemIDplus:81403-68-1 "CAS Registry Number" xref: KEGG DRUG:D01692 "KEGG DRUG" xref: Beilstein:6034829 "Beilstein Registry Number" xref: DrugBank:DB00346 "DrugBank" is_a: CHEBI:36807 relationship: has_part CHEBI:51141 [Term] id: CHEBI:8449 name: procyclidine hydrochloride def: "A hydrochloride that has formula C19H29NO.HCl." [] synonym: "Tricyclamol hydrochloride" RELATED [ChemIDplus:] synonym: "1-cyclohexyl-1-phenyl-3-pyrrolidin-1-ylpropan-1-ol hydrochloride" EXACT IUPAC_NAME [IUPAC:] synonym: "(+-)-Procyclidine hydrochloride" RELATED [ChemIDplus:] synonym: "1-cyclohexyl-1-phenyl-3-pyrrolidino-1-propanol hydrochloride" RELATED [ChemIDplus:] synonym: "C19H29NO.HCl" RELATED FORMULA [KEGG DRUG:] synonym: "[H+].[Cl-].OC(CCN1CCCC1)(C1CCCCC1)c1ccccc1" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C19H29NO.ClH/c21-19(17-9-3-1-4-10-17,18-11-5-2-6-12-18)13-16-20-14-7-8-15-20;/h1,3-4,9-10,18,21H,2,5-8,11-16H2;1H" RELATED InChI [ChEBI:] synonym: "InChIKey=ZFSPFXJSEHCTTR-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: Wikipedia:Procyclidine "Wikipedia" xref: Beilstein:4039815 "Beilstein Registry Number" xref: DrugBank:DB00387 "DrugBank" xref: KEGG DRUG:D00782 "KEGG DRUG" xref: ChemIDplus:1508-76-5 "CAS Registry Number" is_a: CHEBI:36807 relationship: has_part CHEBI:8448 [Term] id: CHEBI:51148 name: pramipexole hydrochloride anhydrous def: "A hydrochloride that is the anhydrous dihydrochloride salt of pramipexole." [] synonym: "(6S)-N(6)-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine dihydrochloride" EXACT IUPAC_NAME [IUPAC:] synonym: "Pramipexole dihydrochloride" RELATED [ChemIDplus:] synonym: "C10H17N3S.2ClH" RELATED FORMULA [ChemIDplus:] synonym: "C10H19Cl2N3S" RELATED FORMULA [ChEBI:] synonym: "Cl.Cl.CCCN[C@H]1CCc2nc(N)sc2C1" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C10H17N3S.2ClH/c1-2-5-12-7-3-4-8-9(6-7)14-10(11)13-8;;/h7,12H,2-6H2,1H3,(H2,11,13);2*1H/t7-;;/m0../s1" RELATED InChI [ChEBI:] synonym: "InChIKey=QMNWXHSYPXQFSK-KLXURFKVSA-N" RELATED InChIKey [ChEBI:] xref: ChemIDplus:104632-25-9 "CAS Registry Number" xref: Beilstein:6491969 "Beilstein Registry Number" xref: DrugBank:DB00413 "DrugBank" is_a: CHEBI:36807 relationship: has_role CHEBI:51065 relationship: has_role CHEBI:48407 relationship: has_part CHEBI:63218 [Term] id: CHEBI:51147 name: pramipexole hydrochloride def: "A hydrate that is the monohydrate of the dihydrochloride salt of pramiprexole." [] synonym: "(6S)-N(6)-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine dihydrochloride hydrate" EXACT IUPAC_NAME [IUPAC:] synonym: "(S)-2-Amino-4,5,6,7-tetrahydro-6-(propylamino)benzothiazole dihydrochloride monohydrate" RELATED [ChemIDplus:] synonym: "Pramipexole dihydrochloride monohydrate" RELATED [ChemIDplus:] synonym: "C10H21Cl2N3OS" RELATED FORMULA [ChEBI:] synonym: "O.Cl.Cl.CCCN[C@H]1CCc2nc(N)sc2C1" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C10H17N3S.2ClH.H2O/c1-2-5-12-7-3-4-8-9(6-7)14-10(11)13-8;;;/h7,12H,2-6H2,1H3,(H2,11,13);2*1H;1H2/t7-;;;/m0.../s1" RELATED InChI [ChEBI:] synonym: "InChIKey=APVQOOKHDZVJEX-QTPLPEIMSA-N" RELATED InChIKey [ChEBI:] xref: Patent:US2010063116 "Patent" xref: CiteXplore:20655682 "PubMed citation" xref: KEGG DRUG:D00559 "KEGG DRUG" xref: ChemIDplus:191217-81-9 "CAS Registry Number" xref: Reaxys:14116907 "Reaxys Registry Number" xref: Patent:WO2008052953 "Patent" xref: Patent:WO2008104847 "Patent" xref: CiteXplore:16580170 "PubMed citation" xref: DrugBank:DB00413 "DrugBank" is_a: CHEBI:35505 relationship: has_part CHEBI:51148 relationship: has_part CHEBI:63218 relationship: has_role CHEBI:51065 relationship: has_role CHEBI:48407 [Term] id: CHEBI:8500 name: propranolol hydrochloride def: "A hydrochloride that has formula C16H21NO2.HCl." [] synonym: "3-(naphthalen-1-yloxy)-1-(propan-2-ylamino)propan-2-ol hydrochloride" EXACT IUPAC_NAME [IUPAC:] synonym: "1-(1-Naphthyloxy)-2-hydroxy-3-isopropylaminopropane hydrochloride" RELATED [ChemIDplus:] synonym: "1-Isopropylamino-3-(1-naphthoxy)-propan-2-ol-hydrochloride" RELATED [ChemIDplus:] synonym: "(+-)-1-(Isopropylamino)-3-(1-naphthyloxy)-2-propanol hydrochloride" RELATED [ChemIDplus:] synonym: "1-(Isopropylamino)-3-(1-naphthoxy)-propan-2-ol hydrochloride" RELATED [ChemIDplus:] synonym: "1-(Isopropylamino)-3-(1-naphthyloxy)-2-propanol hydrochloride" RELATED [ChemIDplus:] synonym: "C16H21NO2.HCl" RELATED FORMULA [ChEBI:] synonym: "C16H22ClNO2" RELATED FORMULA [ChEBI:] synonym: "[H+].[Cl-].CC(C)NCC(O)COc1cccc2ccccc12" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C16H21NO2.ClH/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16;/h3-9,12,14,17-18H,10-11H2,1-2H3;1H" RELATED InChI [ChEBI:] synonym: "InChIKey=ZMRUPTIKESYGQW-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: ChemIDplus:318-98-9 "CAS Registry Number" xref: Beilstein:4164259 "Beilstein Registry Number" xref: DrugBank:DB00571 "DrugBank" xref: KEGG DRUG:D00483 "KEGG DRUG" is_a: CHEBI:36807 relationship: has_part CHEBI:8499 [Term] id: CHEBI:51161 name: dexpropranolol hydrochloride def: "A hydrochloride that has formula C16H21NO2.HCl." [] synonym: "Dexpropranolol HCl" RELATED [ChemIDplus:] synonym: "D-Propranolol hydrochloride" RELATED [ChemIDplus:] synonym: "(+)-1-(Isopropylamino)-3-(1-naphthyloxy)-2-propanol hydrochloride" RELATED [ChemIDplus:] synonym: "(2R)-3-(naphthalen-1-yloxy)-1-(propan-2-ylamino)propan-2-ol hydrochloride" EXACT IUPAC_NAME [IUPAC:] synonym: "C16H21NO2.HCl" RELATED FORMULA [ChEBI:] synonym: "[H+].[Cl-].CC(C)NC[C@@H](O)COc1cccc2ccccc12" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C16H21NO2.ClH/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16;/h3-9,12,14,17-18H,10-11H2,1-2H3;1H/t14-;/m1./s1" RELATED InChI [ChEBI:] synonym: "InChIKey=ZMRUPTIKESYGQW-PFEQFJNWSA-N" RELATED InChIKey [ChEBI:] xref: Beilstein:5780491 "Beilstein Registry Number" xref: Beilstein:5780493 "Beilstein Registry Number" xref: DrugBank:DB00571 "DrugBank" xref: ChemIDplus:13071-11-9 "CAS Registry Number" xref: KEGG DRUG:D03729 "KEGG DRUG" is_a: CHEBI:36807 relationship: has_part CHEBI:8736 [Term] id: CHEBI:8498 name: dextropropoxyphene hydrochloride def: "A hydrochloride that has formula C22H29NO2.HCl." [] synonym: "Propoxyphene HCl" RELATED [ChemIDplus:] synonym: "(+)-Propoxyphene hydrochloride" RELATED [ChemIDplus:] synonym: "(2S,3R)-(+)-4-(Dimethylamino)-3-methyl-1,2-diphenyl-2-butanol propionate (ester) hydrochloride" RELATED [ChemIDplus:] synonym: "(+)-1,2-Diphenyl-2-propionoxy-3-methyl-4-dimethylaminobutane hydrochloride" RELATED [ChemIDplus:] synonym: "d-Propoxyphene monohydrochloride" RELATED [ChemIDplus:] synonym: "d-4-Dimethylamino-3-methyl-1,2-diphenyl-2-butanol propionate hydrochloride" RELATED [ChemIDplus:] synonym: "(1S,2R)-1-benzyl-3-(dimethylamino)-2-methyl-1-phenylpropyl propanoate hydrochloride" EXACT IUPAC_NAME [IUPAC:] synonym: "C22H29NO2.HCl" RELATED FORMULA [KEGG DRUG:] synonym: "C22H30ClNO2" RELATED FORMULA [ChEBI:] synonym: "[H+].[Cl-].CCC(=O)O[C@@](Cc1ccccc1)([C@H](C)CN(C)C)c1ccccc1" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C22H29NO2.ClH/c1-5-21(24)25-22(18(2)17-23(3)4,20-14-10-7-11-15-20)16-19-12-8-6-9-13-19;/h6-15,18H,5,16-17H2,1-4H3;1H/t18-,22+;/m1./s1" RELATED InChI [ChEBI:] synonym: "InChIKey=QMQBBUPJKANITL-MYXGOWFTSA-N" RELATED InChIKey [ChEBI:] xref: Beilstein:3921442 "Beilstein Registry Number" xref: KEGG DRUG:D00482 "KEGG DRUG" xref: DrugBank:DB00647 "DrugBank" xref: ChemIDplus:1639-60-7 "CAS Registry Number" is_a: CHEBI:36807 relationship: has_part CHEBI:51173 [Term] id: CHEBI:51178 name: levopropoxyphene hydrochloride def: "A hydrochloride that has formula C22H29NO2.HCl." [] synonym: "L-Propoxyphene hydrochloride" RELATED [ChemIDplus:] synonym: "Levopropoxyphene HCl" RELATED [ChemIDplus:] synonym: "(1R,2R)-1-benzyl-3-(dimethylamino)-2-methyl-1-phenylpropyl propanoate hydrochloride" EXACT IUPAC_NAME [IUPAC:] synonym: "C22H29NO2.HCl" RELATED FORMULA [ChEBI:] synonym: "C22H30ClNO2" RELATED FORMULA [ChEBI:] synonym: "[H+].[Cl-].CCC(=O)O[C@](Cc1ccccc1)([C@H](C)CN(C)C)c1ccccc1" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C22H29NO2.ClH/c1-5-21(24)25-22(18(2)17-23(3)4,20-14-10-7-11-15-20)16-19-12-8-6-9-13-19;/h6-15,18H,5,16-17H2,1-4H3;1H/t18-,22-;/m1./s1" RELATED InChI [ChEBI:] synonym: "InChIKey=QMQBBUPJKANITL-TVNLMDKXSA-N" RELATED InChIKey [ChEBI:] xref: ChemIDplus:1596-70-9 "CAS Registry Number" is_a: CHEBI:36807 relationship: has_part CHEBI:51174 [Term] id: CHEBI:7455 name: nalbuphine hydrochloride def: "A hydrochloride that has formula C21H27NO4.HCl." [] synonym: "N-Cyclobutylmethyl-14-hydroxydihydronormorphine hydrochloride" RELATED [ChemIDplus:] synonym: "Nalbuphine HCl" RELATED [ChemIDplus:] synonym: "17-cyclobutylmethyl-4,5alpha-epoxymorphinan-3,6alpha,14-triol hydrochloride" EXACT IUPAC_NAME [IUPAC:] synonym: "Nalbufina clorhidrato" RELATED [ChemIDplus:] synonym: "C21H27NO4.HCl" RELATED FORMULA [KEGG DRUG:] synonym: "C21H28ClNO4" RELATED FORMULA [ChEBI:] synonym: "[H+].[Cl-].O[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CCC1)c45" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C21H27NO4.ClH/c23-14-5-4-13-10-16-21(25)7-6-15(24)19-20(21,17(13)18(14)26-19)8-9-22(16)11-12-2-1-3-12;/h4-5,12,15-16,19,23-25H,1-3,6-11H2;1H/t15-,16+,19-,20-,21+;/m0./s1" RELATED InChI [ChEBI:] synonym: "InChIKey=YZLZPSJXMWGIFH-BCXQGASESA-N" RELATED InChIKey [ChEBI:] xref: Beilstein:6761124 "Beilstein Registry Number" xref: ChemIDplus:23277-43-2 "CAS Registry Number" xref: DrugBank:DB00844 "DrugBank" xref: KEGG DRUG:D00843 "KEGG DRUG" is_a: CHEBI:36807 relationship: has_part CHEBI:7454 [Term] id: CHEBI:8604 name: pseudoephedrine hydrochloride def: "A hydrochloride that has formula C10H15NO.HCl." [] synonym: "D-Pseudoephedrine hydrochloride" RELATED [ChemIDplus:] synonym: "L(+)-Pseudoephedrine hydrochloride" RELATED [ChemIDplus:] synonym: "d-Pseudoephedrine hydrochloride" RELATED [ChemIDplus:] synonym: "d-(alpha-(1-Methylamino)ethyl)benzyl alcohol hydrochloride" RELATED [ChemIDplus:] synonym: "(1S,2S)-2-(methylamino)-1-phenylpropan-1-ol hydrochloride" EXACT IUPAC_NAME [IUPAC:] synonym: "(+)-Pseudoephedrine hydrochloride" RELATED [ChemIDplus:] synonym: "C10H15NO.HCl" RELATED FORMULA [KEGG DRUG:] synonym: "C10H16ClNO" RELATED FORMULA [ChEBI:] synonym: "[H+].[Cl-].CN[C@@H](C)[C@@H](O)c1ccccc1" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C10H15NO.ClH/c1-8(11-2)10(12)9-6-4-3-5-7-9;/h3-8,10-12H,1-2H3;1H/t8-,10+;/m0./s1" RELATED InChI [ChEBI:] synonym: "InChIKey=BALXUFOVQVENIU-KXNXZCPBSA-N" RELATED InChIKey [ChEBI:] xref: DrugBank:DB00852 "DrugBank" xref: ChemIDplus:345-78-8 "CAS Registry Number" xref: Beilstein:3915112 "Beilstein Registry Number" xref: KEGG DRUG:D00485 "KEGG DRUG" is_a: CHEBI:36807 relationship: has_part CHEBI:51209 [Term] id: CHEBI:51213 name: pivmecillinam hydrochloride def: "A hydrochloride that has formula C21H34ClN3O5S." [] synonym: "Selexid" RELATED BRAND_NAME [ChemIDplus:] synonym: "[(2,2-dimethylpropanoyl)oxy]methyl 6beta-[(azepan-1-ylmethylidene)amino]-2,2-dimethylpenam-3alpha-carboxylate hydrochloride" EXACT IUPAC_NAME [IUPAC:] synonym: "Melysin" RELATED BRAND_NAME [ChemIDplus:] synonym: "pivmecilinamo clorhidrato" RELATED [ChemIDplus:] synonym: "amdinocillin pivoxil hydrochloride" RELATED [ChEBI:] synonym: "C21H34ClN3O5S" RELATED FORMULA [ChEBI:] synonym: "[H+].[Cl-].[H]C(=N[C@@H]1C(=O)N2[C@@H](C(=O)OCOC(=O)C(C)(C)C)C(C)(C)S[C@]12[H])N1CCCCCC1" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C21H33N3O5S.ClH/c1-20(2,3)19(27)29-13-28-18(26)15-21(4,5)30-17-14(16(25)24(15)17)22-12-23-10-8-6-7-9-11-23;/h12,14-15,17H,6-11,13H2,1-5H3;1H/t14-,15+,17-;/m1./s1" RELATED InChI [ChEBI:] synonym: "InChIKey=UHPXMYLONAGUPC-WKLLBTDKSA-N" RELATED InChIKey [ChEBI:] xref: ChemIDplus:32887-03-9 "CAS Registry Number" is_a: CHEBI:36807 relationship: has_part CHEBI:51210 [Term] id: CHEBI:31191 name: alprenolol hydrochloride def: "A hydrochloride that has formula C15H23NO2.HCl." [] synonym: "1-[2-(prop-2-en-1-ylphenoxy)]-3-(isopropylamino)propan-2-ol hydrochloride" EXACT IUPAC_NAME [IUPAC:] synonym: "Alprenolol HCl" RELATED [ChemIDplus:] synonym: "1-Isopropylamino-3-(o-allylphenoxy)-2-propanol hydrochloride" RELATED [ChemIDplus:] synonym: "1-(2-Allylphenoxy)-3-isopropylamino-2-propanol hydrochloride" RELATED [ChemIDplus:] synonym: "1-(o-Allylphenoxy)-3-(isopropylamino)-2-propanol hydrochloride" RELATED [ChemIDplus:] synonym: "C15H23NO2.HCl" RELATED FORMULA [KEGG DRUG:] synonym: "[H+].[Cl-].CC(C)NCC(O)COc1ccccc1CC=C" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C15H23NO2.ClH/c1-4-7-13-8-5-6-9-15(13)18-11-14(17)10-16-12(2)3;/h4-6,8-9,12,14,16-17H,1,7,10-11H2,2-3H3;1H" RELATED InChI [ChEBI:] synonym: "InChIKey=RRCPAXJDDNWJBI-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: ChemIDplus:13707-88-5 "CAS Registry Number" xref: KEGG DRUG:D01182 "KEGG DRUG" xref: DrugBank:DB00866 "DrugBank" xref: Beilstein:4029431 "Beilstein Registry Number" is_a: CHEBI:36807 relationship: has_part CHEBI:51211 [Term] id: CHEBI:7479 name: Naratriptan hydrochloride def: "A hydrochloride that has formula C17H26ClN3O2S." [] synonym: "N-methyl-2-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]ethanesulfonamide hydrochloride" EXACT IUPAC_NAME [IUPAC:] synonym: "N-Methyl-3-(1-methyl-4-piperidyl)indole-5-ethanesulfonamide monohydrochloride" RELATED [ChemIDplus:] synonym: "Naratriptan HCl" RELATED [ChemIDplus:] synonym: "C17H26ClN3O2S" RELATED FORMULA [ChEBI:] synonym: "C17H25N3O2S.HCl" RELATED FORMULA [KEGG DRUG:] synonym: "[H+].[Cl-].CNS(=O)(=O)CCc1ccc2[nH]cc(C3CCN(C)CC3)c2c1" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C17H25N3O2S.ClH/c1-18-23(21,22)10-7-13-3-4-17-15(11-13)16(12-19-17)14-5-8-20(2)9-6-14;/h3-4,11-12,14,18-19H,5-10H2,1-2H3;1H" RELATED InChI [ChEBI:] synonym: "InChIKey=AWEZYKMQFAUBTD-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: ChemIDplus:143388-64-1 "CAS Registry Number" xref: Beilstein:7786629 "Beilstein Registry Number" xref: KEGG DRUG:D00674 "KEGG DRUG" xref: DrugBank:DB00952 "DrugBank" is_a: CHEBI:36807 relationship: has_part CHEBI:7478 [Term] id: CHEBI:7857 name: oxybutynin chloride def: "A hydrochloride that has formula C22H31NO3.HCl." [] synonym: "4-Diethylamino-2-butynyl phenyl(cyclohexyl)glycolate hydrochloride" RELATED [ChemIDplus:] synonym: "4-(diethylamino)but-2-yn-1-yl cyclohexyl(hydroxy)phenylacetate hydrochloride" EXACT IUPAC_NAME [IUPAC:] synonym: "4-(Diethylamino)-2-butynyl alpha-phenylcyclohexaneglycolate hydrochloride" RELATED [ChemIDplus:] synonym: "C22H31NO3.HCl" RELATED FORMULA [KEGG DRUG:] synonym: "C22H32ClNO3" RELATED FORMULA [ChEBI:] synonym: "[H+].[Cl-].CCN(CC)CC#CCOC(=O)C(O)(C1CCCCC1)c1ccccc1" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C22H31NO3.ClH/c1-3-23(4-2)17-11-12-18-26-21(24)22(25,19-13-7-5-8-14-19)20-15-9-6-10-16-20;/h5,7-8,13-14,20,25H,3-4,6,9-10,15-18H2,1-2H3;1H" RELATED InChI [ChEBI:] synonym: "InChIKey=SWIJYDAEGSIQPZ-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: KEGG DRUG:D00722 "KEGG DRUG" xref: ChemIDplus:1508-65-2 "CAS Registry Number" xref: DrugBank:DB01062 "DrugBank" xref: Beilstein:4833152 "Beilstein Registry Number" is_a: CHEBI:36807 relationship: has_part CHEBI:7856 [Term] id: CHEBI:51330 name: esoxybutynin chloride def: "A hydrochloride that has formula C22H32ClNO3." [] synonym: "4-(diethylamino)but-2-yn-1-yl (2S)-cyclohexyl(hydroxy)phenylacetate hydrochloride" EXACT IUPAC_NAME [IUPAC:] synonym: "C22H32ClNO3" RELATED FORMULA [ChEBI:] synonym: "C22H31NO3.HCl" RELATED FORMULA [ChEBI:] synonym: "[H+].[Cl-].CCN(CC)CC#CCOC(=O)[C@@](O)(C1CCCCC1)c1ccccc1" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C22H31NO3.ClH/c1-3-23(4-2)17-11-12-18-26-21(24)22(25,19-13-7-5-8-14-19)20-15-9-6-10-16-20;/h5,7-8,13-14,20,25H,3-4,6,9-10,15-18H2,1-2H3;1H/t22-;/m0./s1" RELATED InChI [ChEBI:] synonym: "InChIKey=SWIJYDAEGSIQPZ-FTBISJDPSA-N" RELATED InChIKey [ChEBI:] xref: KEGG DRUG:D04057 "KEGG DRUG" xref: ChemIDplus:230949-16-3 "CAS Registry Number" xref: DrugBank:DB01062 "DrugBank" is_a: CHEBI:36807 relationship: has_part CHEBI:51329 [Term] id: CHEBI:7495 name: nefazodone hydrochloride def: "A hydrochloride that has formula C25H32ClN5O2.HCl." [] synonym: "Nefazodone HCl" RELATED [ChEBI:] synonym: "1-(3-(4-(m-Chlorophenyl)-1-piperazinyl)propyl)-3-ethyl-4-(2-phenoxyethyl)-delta(sup 2)-1,2,4-triazolin-5-one monohydrochloride" RELATED [ChemIDplus:] synonym: "2-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-5-ethyl-4-(2-phenoxyethyl)-2,4-dihydro-3H-1,2,4-triazol-3-one hydrochloride" EXACT IUPAC_NAME [IUPAC:] synonym: "C25H32ClN5O2.HCl" RELATED FORMULA [KEGG DRUG:] synonym: "C25H33Cl2N5O2" RELATED FORMULA [ChEBI:] synonym: "[H+].[Cl-].CCc1nn(CCCN2CCN(CC2)c2cccc(Cl)c2)c(=O)n1CCOc1ccccc1" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C25H32ClN5O2.ClH/c1-2-24-27-31(25(32)30(24)18-19-33-23-10-4-3-5-11-23)13-7-12-28-14-16-29(17-15-28)22-9-6-8-21(26)20-22;/h3-6,8-11,20H,2,7,12-19H2,1H3;1H" RELATED InChI [ChEBI:] synonym: "InChIKey=DYCKFEBIOUQECE-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: KEGG DRUG:D00819 "KEGG DRUG" xref: Beilstein:4636943 "Beilstein Registry Number" xref: DrugBank:DB01149 "DrugBank" xref: ChemIDplus:82752-99-6 "CAS Registry Number" is_a: CHEBI:36807 relationship: has_part CHEBI:7494 [Term] id: CHEBI:9446 name: terazosin hydrochloride dihydrate def: "A hydrate that has formula C19H30ClN5O6." [] synonym: "6,7-dimethoxy-2-[4-(tetrahydrofuran-2-ylcarbonyl)piperazin-1-yl]quinazolin-4-amine hydrochloride dihydrate" EXACT IUPAC_NAME [IUPAC:] synonym: "1-(4-Amino-6,7-dimethoxy-2-quinazolinyl)-4-(tetrahydro-2-furoyl)piperazine monohydrochloride dihydrate" RELATED [ChemIDplus:] synonym: "Terazosin monohydrochloride dihydrate" RELATED [ChemIDplus:] synonym: "C19H30ClN5O6" RELATED FORMULA [ChEBI:] synonym: "C19H25N5O4.2H2O.HCl" RELATED FORMULA [KEGG DRUG:] synonym: "[H+].O.O.[Cl-].COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C19H25N5O4.ClH.2H2O/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14;;;/h10-11,14H,3-9H2,1-2H3,(H2,20,21,22);1H;2*1H2" RELATED InChI [ChEBI:] synonym: "InChIKey=NZMOFYDMGFQZLS-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: ChemIDplus:70024-40-7 "CAS Registry Number" xref: DrugBank:DB01162 "DrugBank" xref: KEGG DRUG:D00610 "KEGG DRUG" xref: Patent:DE2831112 "Patent" xref: Patent:US4251532 "Patent" is_a: CHEBI:36807 is_a: CHEBI:35505 relationship: has_part CHEBI:9445 [Term] id: CHEBI:31847 name: midodrine hydrochloride def: "A hydrochloride resulting from the combination of equimolar amounts of midodrine and hydrogen chloride. Midodrine is a direct-acting sympathomimetic with selective alpha-adrenergic agonist activity. The hydrochloride salt is used as a peripheral vasoconstrictor in the treatment of certain hypotensive states. The main active moiety is its major metabolite, deglymidodrine." [] synonym: "(+-)-2-Amino-N-(beta-hydroxy-2,5-dimethoxyphenethyl)acetamide monohydrochloride" RELATED [ChemIDplus:] synonym: "Midodrine HCl" RELATED [ChemIDplus:] synonym: "(+-)-1-(2',5'-Dimethoxyphenyl)-2-glycinamidoethanol hydrochloride" RELATED [ChemIDplus:] synonym: "ProAmatine" RELATED BRAND_NAME [ChEBI:] synonym: "rac-N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]glycinamide hydrochloride" EXACT IUPAC_NAME [IUPAC:] synonym: "(+-)-Midodrine hydrochloride" RELATED [ChemIDplus:] synonym: "Pro-Amatine" RELATED BRAND_NAME [KEGG DRUG:] synonym: "C12H18N2O4.HCl" RELATED FORMULA [KEGG DRUG:] synonym: "C12H19ClN2O4" RELATED FORMULA [ChEBI:] synonym: "Cl.COc1ccc(OC)c(c1)C(O)CNC(=O)CN" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C12H18N2O4.ClH/c1-17-8-3-4-11(18-2)9(5-8)10(15)7-14-12(16)6-13;/h3-5,10,15H,6-7,13H2,1-2H3,(H,14,16);1H" RELATED InChI [ChEBI:] synonym: "InChIKey=MGCQZNBCJBRZDT-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: ChemIDplus:3092-17-9 "CAS Registry Number" xref: KEGG DRUG:3092-17-9 "CAS Registry Number" xref: DrugBank:DB00211 "DrugBank" xref: HMDB:HMDB14356 "HMDB" xref: CiteXplore:21301135 "PubMed citation" xref: KEGG DRUG:D01307 "KEGG DRUG" xref: Reaxys:6579688 "Reaxys Registry Number" xref: CiteXplore:20801263 "PubMed citation" xref: Patent:WO2004018409 "Patent" is_a: CHEBI:36807 relationship: has_part CHEBI:73243 relationship: has_role CHEBI:35569 relationship: has_role CHEBI:35524 relationship: has_role CHEBI:50514 [Term] id: CHEBI:8365 name: prazosin hydrochloride def: "A hydrochloride that has formula C19H22ClN5O4." [] synonym: "2-[4-(2-furoyl)piperazin-1-yl]-6,7-dimethoxyquinazolin-4-amine hydrochloride" EXACT IUPAC_NAME [IUPAC:] synonym: "1-(4-Amino-6,7-dimethoxy-2-quinazolinyl)-4-(2-furanylcarbonyl)piperazine hydrochloride" RELATED [ChemIDplus:] synonym: "Prazosin clorhidrato" RELATED [ChemIDplus:] synonym: "2-(4-(2-Furoyl)piperazin-1-yl)-4-amino-6,7-dimethoxyquinazoline hydrochloride" RELATED [ChemIDplus:] synonym: "Prazosin HCl" RELATED [ChemIDplus:] synonym: "C19H22ClN5O4" RELATED FORMULA [ChEBI:] synonym: "C19H21N5O4.HCl" RELATED FORMULA [KEGG DRUG:] synonym: "[H+].[Cl-].COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)c1ccco1" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C19H21N5O4.ClH/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14;/h3-4,9-11H,5-8H2,1-2H3,(H2,20,21,22);1H" RELATED InChI [ChEBI:] synonym: "InChIKey=WFXFYZULCQKPIP-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: DrugBank:DB00457 "DrugBank" xref: ChemIDplus:19237-84-4 "CAS Registry Number" xref: Beilstein:4303561 "Beilstein Registry Number" xref: KEGG DRUG:D00609 "KEGG DRUG" is_a: CHEBI:36807 relationship: has_part CHEBI:8364 [Term] id: CHEBI:3224 name: buspirone hydrochloride def: "A hydrochloride that has formula C21H32ClN5O2." [] synonym: "8-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-8-azaspiro[4.5]decane-7,9-dione hydrochloride" EXACT IUPAC_NAME [IUPAC:] synonym: "N-(4-(4-(2-Pyrimidinyl)-1-piperazinyl)butyl)-1,1-cyclopentanediacetamide monohydrochloride" RELATED [ChemIDplus:] synonym: "C21H32ClN5O2" RELATED FORMULA [ChEBI:] synonym: "C21H31N5O2.HCl" RELATED FORMULA [KEGG DRUG:] synonym: "[H+].[Cl-].O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1ncccn1" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C21H31N5O2.ClH/c27-18-16-21(6-1-2-7-21)17-19(28)26(18)11-4-3-10-24-12-14-25(15-13-24)20-22-8-5-9-23-20;/h5,8-9H,1-4,6-7,10-17H2;1H" RELATED InChI [ChEBI:] synonym: "InChIKey=RICLFGYGYQXUFH-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: ChemIDplus:33386-08-2 "CAS Registry Number" xref: DrugBank:DB00490 "DrugBank" xref: KEGG DRUG:D00702 "KEGG DRUG" xref: Beilstein:5369604 "Beilstein Registry Number" is_a: CHEBI:36807 relationship: has_part CHEBI:3223 [Term] id: CHEBI:7859 name: oxycodone hydrochloride def: "A hydrochloride that has formula C18H22ClNO4." [] synonym: "Oxycodone HCl" RELATED [ChemIDplus:] synonym: "4,5alpha-Epoxy-14-hydroxy-3-methoxy-17-methylmorphinan-6-one hydrochloride" RELATED [ChemIDplus:] synonym: "Dihydrone hydrochloride" RELATED [ChemIDplus:] synonym: "14-Hydroxydihydrocodeinone hydrochloride" RELATED [ChemIDplus:] synonym: "Dihydroxycodeinone hydrochloride" RELATED [ChemIDplus:] synonym: "Dihydrooxycodeinone hydrochloride" RELATED [ChemIDplus:] synonym: "14-hydroxy-3-methoxy-17-methyl-4,5alpha-epoxymorphinan-6-one hydrochloride" EXACT IUPAC_NAME [IUPAC:] synonym: "Oxycodone hydrochloride" EXACT [KEGG COMPOUND:] synonym: "C18H22ClNO4" RELATED FORMULA [ChEBI:] synonym: "C18H21NO4.HCl" RELATED FORMULA [KEGG COMPOUND:] synonym: "[H+].[Cl-].COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C18H21NO4.ClH/c1-19-8-7-17-14-10-3-4-12(22-2)15(14)23-16(17)11(20)5-6-18(17,21)13(19)9-10;/h3-4,13,16,21H,5-9H2,1-2H3;1H/t13-,16+,17+,18-;/m1./s1" RELATED InChI [ChEBI:] synonym: "InChIKey=MUZQPDBAOYKNLO-RKXJKUSZSA-N" RELATED InChIKey [ChEBI:] xref: KEGG COMPOUND:C08026 "KEGG COMPOUND" xref: ChemIDplus:124-90-3 "CAS Registry Number" xref: KEGG DRUG:D00847 "KEGG DRUG" xref: DrugBank:DB00497 "DrugBank" is_a: CHEBI:36807 relationship: has_part CHEBI:7852 [Term] id: CHEBI:3438 name: carteolol hydrochloride def: "A hydrochloride that has formula C16H25ClN2O3." [] synonym: "5-(3-(tert-Butylamino)-2-hydroxypropoxy)-3,4-dihydrocarbostyril monohydrochloride" RELATED [ChemIDplus:] synonym: "5-(3-tert-Butylamino-2-hydroxy-propoxy)-3,4-dihydro-2(1H)-chinolinon-hydrochlorid" RELATED [ChemIDplus:] synonym: "5-[3-(tert-butylamino)-2-hydroxypropoxy]-3,4-dihydroquinolin-2(1H)-one hydrochloride" EXACT IUPAC_NAME [IUPAC:] synonym: "5-(3-((1,1-Dimethylethyl)amino)-2-hydroxypropoxy)-3,4-dihydro-2(1H)-quinolinone hydrochloride" RELATED [ChemIDplus:] synonym: "N-tert-butyl-2-hydroxy-3-[(2-oxo-1,2,3,4-tetrahydroquinolin-5-yl)oxy]propan-1-aminium chloride" RELATED [IUPAC:] synonym: "Carteolol HCl" RELATED [ChemIDplus:] synonym: "5-(2-Hydroxy-3-tert-butylamino)propoxy-3,4-dihydrocarbostyril hydrochloride" RELATED [ChemIDplus:] synonym: "C16H25ClN2O3" RELATED FORMULA [ChEBI:] synonym: "C16H24N2O3.HCl" RELATED FORMULA [KEGG DRUG:] synonym: "[Cl-].CC(C)(C)[NH2+]CC(O)COc1cccc2NC(=O)CCc12" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C16H24N2O3.ClH/c1-16(2,3)17-9-11(19)10-21-14-6-4-5-13-12(14)7-8-15(20)18-13;/h4-6,11,17,19H,7-10H2,1-3H3,(H,18,20);1H" RELATED InChI [ChEBI:] synonym: "InChIKey=FYBXRCFPOTXTJF-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: DrugBank:DB00521 "DrugBank" xref: KEGG DRUG:D00599 "KEGG DRUG" xref: ChemIDplus:51781-21-6 "CAS Registry Number" xref: Beilstein:5784965 "Beilstein Registry Number" is_a: CHEBI:36807 relationship: has_role CHEBI:39456 relationship: has_role CHEBI:35674 relationship: has_role CHEBI:38070 relationship: has_role CHEBI:35530 relationship: has_part CHEBI:61202 [Term] id: CHEBI:9710 name: trifluoperazine hydrochloride def: "A hydrochloride that has formula C21H26Cl2F3N3S." [] synonym: "Trifluoperazine dihydrochloride" RELATED [ChemIDplus:] synonym: "10-[3-(4-methylpiperazin-1-yl)propyl]-2-(trifluoromethyl)-10H-phenothiazine dihydrochloride" EXACT IUPAC_NAME [IUPAC:] synonym: "2-Trifluoromethyl-10-(3'-(1-methyl-4-piperazinyl)propyl)phenothiazine dihydrochloride" RELATED [ChemIDplus:] synonym: "Trifluoperazine HCl" RELATED [ChemIDplus:] synonym: "Trifluoroperazine dihydrochloride" RELATED [ChemIDplus:] synonym: "Trifluperazine dihydrochloride" RELATED [ChemIDplus:] synonym: "C21H26Cl2F3N3S" RELATED FORMULA [ChEBI:] synonym: "C21H24F3N3S.2HCl" RELATED FORMULA [KEGG DRUG:] synonym: "[H+].[H+].[Cl-].[Cl-].CN1CCN(CCCN2c3ccccc3Sc3ccc(cc23)C(F)(F)F)CC1" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C21H24F3N3S.2ClH/c1-25-11-13-26(14-12-25)9-4-10-27-17-5-2-3-6-19(17)28-20-8-7-16(15-18(20)27)21(22,23)24;;/h2-3,5-8,15H,4,9-14H2,1H3;2*1H" RELATED InChI [ChEBI:] synonym: "InChIKey=BXDAOUXDMHXPDI-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: KEGG DRUG:D00799 "KEGG DRUG" xref: DrugBank:DB00831 "DrugBank" xref: Beilstein:3820024 "Beilstein Registry Number" xref: ChemIDplus:440-17-5 "CAS Registry Number" is_a: CHEBI:36807 relationship: has_part CHEBI:45951 [Term] id: CHEBI:51739 name: acridine orange def: "Fluorescent dye useful for cell cycle determination. It is cell-permeable, and interacts with DNA and RNA by intercalation or electrostatic attractions respectively." [] synonym: "N,N,N',N'-tetramethylacridine-3,6-diamine hydrochloride" EXACT IUPAC_NAME [IUPAC:] synonym: "3,6-Bis(dimethylamino)acridine hydrochloride" RELATED [ChemIDplus:] synonym: "N3,N3,N6,N6-tetramethyl-3,6-Acridinediamine hydrochloride(1:1)" RELATED [ChEBI:] synonym: "Rhoduline Orange" RELATED [ChemIDplus:] synonym: "C17H19N3.ClH" RELATED FORMULA [ChemIDplus:] synonym: "C17H20ClN3" RELATED FORMULA [ChEBI:] synonym: "[H+].[Cl-].CN(C)c1ccc2cc3ccc(cc3nc2c1)N(C)C" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C17H19N3.ClH/c1-19(2)14-7-5-12-9-13-6-8-15(20(3)4)11-17(13)18-16(12)10-14;/h5-11H,1-4H3;1H" RELATED InChI [ChEBI:] synonym: "InChIKey=VSTHNGLPHBTRMB-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: ChemIDplus:65-61-2 "CAS Registry Number" xref: Beilstein:3575587 "Beilstein Registry Number" is_a: CHEBI:36807 relationship: has_role CHEBI:51217 is_a: CHEBI:51803 relationship: has_part CHEBI:52788 [Term] id: CHEBI:51742 name: acridine yellow def: "An aminoacridine that has formula C15H16ClN3." [] synonym: "2,7-Dimethyl-3,6-acridinediamine monohydrochloride" RELATED [ChemIDplus:] synonym: "2,7-dimethylacridine-3,6-diamine hydrochloride" EXACT IUPAC_NAME [IUPAC:] synonym: "3,6-Diamino-2,7-dimethylacridine hydrochloride" RELATED [ChemIDplus:] synonym: "C15H16ClN3" RELATED FORMULA [ChEBI:] synonym: "C15H15N3.ClH" RELATED FORMULA [ChemIDplus:] synonym: "[H+].[Cl-].Cc1cc2cc3cc(C)c(N)cc3nc2cc1N" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C15H15N3.ClH/c1-8-3-10-5-11-4-9(2)13(17)7-15(11)18-14(10)6-12(8)16;/h3-7H,16-17H2,1-2H3;1H" RELATED InChI [ChEBI:] synonym: "InChIKey=BGLGAKMTYHWWKW-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: ChemIDplus:135-49-9 "CAS Registry Number" xref: Beilstein:3734552 "Beilstein Registry Number" is_a: CHEBI:36807 relationship: has_role CHEBI:51217 is_a: CHEBI:51803 relationship: has_part CHEBI:52789 [Term] id: CHEBI:21182 name: quinacrine mustard dihydrochloride def: "A hydrochloride that has formula C23H30Cl5N3O." [] synonym: "N(1),N(1)-bis(2-chloroethyl)-N(4)-(6-chloro-2-methoxyacridin-9-yl)pentane-1,4-diamine dihydrochloride" EXACT IUPAC_NAME [IUPAC:] synonym: "mepacrine mustard dihydrochloride" RELATED [ChemIDplus:] synonym: "quinacrine mustard dihydrochloride" EXACT [ChemIDplus:] synonym: "ICR 10" RELATED [ChemIDplus:] synonym: "C23H30Cl5N3O" RELATED FORMULA [ChEBI:] synonym: "[H+].[H+].[Cl-].[Cl-].COc1ccc2nc3cc(Cl)ccc3c(NC(C)CCCN(CCCl)CCCl)c2c1" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C23H28Cl3N3O.2ClH/c1-16(4-3-11-29(12-9-24)13-10-25)27-23-19-7-5-17(26)14-22(19)28-21-8-6-18(30-2)15-20(21)23;;/h5-8,14-16H,3-4,9-13H2,1-2H3,(H,27,28);2*1H" RELATED InChI [ChEBI:] synonym: "InChIKey=JETDZFFCRPFPDH-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: Beilstein:3819822 "Beilstein Registry Number" xref: ChemIDplus:4213-45-0 "CAS Registry Number" relationship: has_role CHEBI:24853 relationship: has_part CHEBI:37595 is_a: CHEBI:36807 [Term] id: CHEBI:31836 name: methylphenidate hydrochloride def: "A hydrochloride that has formula C14H19NO2.HCl." [] synonym: "methylphenidate HCl" RELATED [ChemIDplus:] synonym: "Metadate" RELATED BRAND_NAME [KEGG DRUG:] synonym: "Concerta" RELATED BRAND_NAME [KEGG DRUG:] synonym: "methylphenidylacetate hydrochloride" RELATED [ChemIDplus:] synonym: "Ritalin" RELATED BRAND_NAME [KEGG DRUG:] synonym: "Centedrin" RELATED BRAND_NAME [ChemIDplus:] synonym: "2-(2-methoxy-2-oxo-1-phenylethyl)piperidinium chloride" EXACT IUPAC_NAME [IUPAC:] synonym: "C14H19NO2.HCl" RELATED FORMULA [KEGG DRUG:] synonym: "[Cl-].COC(=O)C(C1CCCC[NH2+]1)c1ccccc1" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C14H19NO2.ClH/c1-17-14(16)13(11-7-3-2-4-8-11)12-9-5-6-10-15-12;/h2-4,7-8,12-13,15H,5-6,9-10H2,1H3;1H" RELATED InChI [ChEBI:] synonym: "InChIKey=JUMYIBMBTDDLNG-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: KEGG DRUG:D01296 "KEGG DRUG" xref: Beilstein:6492989 "Beilstein Registry Number" xref: ChemIDplus:298-59-9 "CAS Registry Number" is_a: CHEBI:36807 relationship: has_part CHEBI:51856 relationship: has_role CHEBI:35337 [Term] id: CHEBI:51876 name: auramine hydrochloride def: "A hydrochloride that has formula C17H21N3." [] synonym: "4,4'-Bis(dimethylamino)-benzhydrylidenimine hydrochloride" RELATED [ChemIDplus:] synonym: "Auramin" RELATED [ChemIDplus:] synonym: "(Tetramethyldiamino)diphenylketoimine hydrochloride" RELATED [ChemIDplus:] synonym: "4:4'-Bis(dimethylamino)benzophenone-imine hydrochloride" RELATED [ChemIDplus:] synonym: "1,1-Bis(p-dimethylaminophenyl)methylenimine hydrochloride" RELATED [ChEBI:] synonym: "Auramine Yellow" RELATED [ChemIDplus:] synonym: "4,4'-carbonimidoylbis(N,N-dimethylaniline) hydrochloride" EXACT IUPAC_NAME [IUPAC:] synonym: "4,4'-(Imidocarbonyl)bis(N,N-dimethylamine), monohydrochloride" RELATED [ChemIDplus:] synonym: "C17H21N3" RELATED FORMULA [ChemIDplus:] synonym: "[H+].[Cl-].CN(C)c1ccc(cc1)C(=N)c1ccc(cc1)N(C)C" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C17H21N3.ClH/c1-19(2)15-9-5-13(6-10-15)17(18)14-7-11-16(12-8-14)20(3)4;/h5-12,18H,1-4H3;1H" RELATED InChI [ChEBI:] synonym: "InChIKey=KSCQDDRPFHTIRL-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: NIST Chemistry WebBook:2465-27-2 "CAS Registry Number" xref: ChemIDplus:2465-27-2 "CAS Registry Number" xref: Beilstein:4030061 "Beilstein Registry Number" is_a: CHEBI:36807 relationship: has_part CHEBI:51874 [Term] id: CHEBI:2969 name: bacampicillin hydrochloride def: "The hydrochloride salt of bacampicillin." [] synonym: "bacampicillin HCl" RELATED [ChemIDplus:] synonym: "Bacampicillin hydrochloride" EXACT [KEGG COMPOUND:] synonym: "1-[(ethoxycarbonyl)oxy]ethyl 6beta-[(2R)-2-amino-2-phenylacetamido]-2,2-dimethylpenam-3alpha-carboxylate hydrochloride" EXACT IUPAC_NAME [IUPAC:] synonym: "C21H27N3O7S.HCl" RELATED FORMULA [KEGG COMPOUND:] synonym: "[H+].[Cl-].[H][C@]12SC(C)(C)[C@@]([H])(N1C(=O)[C@H]2NC(=O)[C@H](N)c1ccccc1)C(=O)OC(C)OC(=O)OCC" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C21H27N3O7S.ClH/c1-5-29-20(28)31-11(2)30-19(27)15-21(3,4)32-18-14(17(26)24(15)18)23-16(25)13(22)12-9-7-6-8-10-12;/h6-11,13-15,18H,5,22H2,1-4H3,(H,23,25);1H/t11?,13-,14-,15+,18-;/m1./s1" RELATED InChI [ChEBI:] synonym: "InChIKey=IWVTXAGTHUECPN-ANBBSHPLSA-N" RELATED InChIKey [ChEBI:] xref: ChemIDplus:37661-08-8 "CAS Registry Number" xref: KEGG COMPOUND:C08123 "KEGG COMPOUND" xref: Beilstein:5721919 "Beilstein Registry Number" xref: KEGG COMPOUND:37661-08-8 "CAS Registry Number" xref: CiteXplore:464583 "PubMed citation" xref: KEGG DRUG:37661-08-8 "CAS Registry Number" xref: KEGG DRUG:D00927 "KEGG DRUG" is_a: CHEBI:36807 relationship: has_part CHEBI:2968 [Term] id: CHEBI:52055 name: ethidium homodimer def: "A hydrochloride that has formula C41H48Cl4N8." [] synonym: "Phenanthridinium, 5,5'-[1,2-ethanediylbis(imino-3,1-propanediyl)]bis(3,8-diamino-6-phenyl)-,dichloride,dihydrochloride" RELATED [ChEBI:] synonym: "5,5'-(4,7-Diazadecamethylene)-bis(3,8-diamino-6-phenylphenanthridinium) dichloride dihydrochloride" RELATED [ChemIDplus:] synonym: "3,8-diamino-5-{3-[(2-{[3-(3,8-diamino-6-methylphenanthridinium-5-yl)propyl]amino}ethyl)amino]propyl}-6-phenylphenanthridinium dichloride dihydrochloride" EXACT IUPAC_NAME [IUPAC:] synonym: "C41H48Cl4N8" RELATED FORMULA [ChEBI:] synonym: "[H+].[H+].[Cl-].[Cl-].[Cl-].[Cl-].Cc1[n+](CCCNCCNCCC[n+]2c(-c3ccccc3)c3cc(N)ccc3c3ccc(N)cc23)c2cc(N)ccc2c2ccc(N)cc12" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C41H44N8.4ClH/c1-27-37-23-29(42)9-13-33(37)35-15-11-31(44)25-39(35)48(27)21-5-17-46-19-20-47-18-6-22-49-40-26-32(45)12-16-36(40)34-14-10-30(43)24-38(34)41(49)28-7-3-2-4-8-28;;;;/h2-4,7-16,23-26,44-47H,5-6,17-22,42-43H2,1H3;4*1H" RELATED InChI [ChEBI:] synonym: "InChIKey=GTSMOYLSFUBTMV-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: ChemIDplus:61926-22-5 "CAS Registry Number" is_a: CHEBI:36807 relationship: has_functional_parent CHEBI:42478 relationship: has_role CHEBI:24853 relationship: has_role CHEBI:51217 relationship: has_part CHEBI:52843 [Term] id: CHEBI:52115 name: DND-22 dye def: "A hydrochloride that has formula C24H38Cl4N4." [] synonym: "N(1),N(1)'-(anthracene-9,10-diyldimethanediyl)bis(N(2),N(2)-dimethylethane-1,2-diamine) tetrahydrochloride" EXACT IUPAC_NAME [IUPAC:] synonym: "LysoTracker Blue DND-22" RELATED [ChEBI:] synonym: "C24H38Cl4N4" RELATED FORMULA [ChEBI:] synonym: "Cl.Cl.Cl.Cl.CN(C)CCNCc1c2ccccc2c(CNCCN(C)C)c2ccccc12" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C24H34N4.4ClH/c1-27(2)15-13-25-17-23-19-9-5-7-11-21(19)24(18-26-14-16-28(3)4)22-12-8-6-10-20(22)23;;;;/h5-12,25-26H,13-18H2,1-4H3;4*1H" RELATED InChI [ChEBI:] synonym: "InChIKey=XREPHSYKOHUZPZ-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] is_a: CHEBI:36807 relationship: has_part CHEBI:52114 relationship: has_role CHEBI:51217 [Term] id: CHEBI:52167 name: hydrabamine dihydrochloride def: "A hydrochloride that has formula C42H66Cl2N2." [] synonym: "N,N'-di[abieta-8(14),9(11),12-trien-18-yl]ethane-1,2-diamine dihydrochloride" EXACT IUPAC_NAME [IUPAC:] synonym: "C42H66Cl2N2" RELATED FORMULA [ChEBI:] synonym: "Cl.Cl.[H][C@@]12CCc3cc(ccc3[C@@]1(C)CCC[C@@]2(C)CNCCNC[C@]1(C)CCC[C@]2(C)c3ccc(cc3CC[C@@]12[H])C(C)C)C(C)C" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C42H64N2.2ClH/c1-29(2)31-11-15-35-33(25-31)13-17-37-39(5,19-9-21-41(35,37)7)27-43-23-24-44-28-40(6)20-10-22-42(8)36-16-12-32(30(3)4)26-34(36)14-18-38(40)42;;/h11-12,15-16,25-26,29-30,37-38,43-44H,9-10,13-14,17-24,27-28H2,1-8H3;2*1H/t37-,38-,39-,40-,41+,42+;;/m0../s1" RELATED InChI [ChEBI:] synonym: "InChIKey=FBGKIVBTDNVGQM-XFRAEFFKSA-N" RELATED InChIKey [ChEBI:] xref: Beilstein:3847468 "Beilstein Registry Number" xref: ChemIDplus:63087-59-2 "CAS Registry Number" is_a: CHEBI:36807 relationship: has_part CHEBI:52166 [Term] id: CHEBI:34993 name: talampicillin hydrochloride def: "A hydrochloride that has formula C24H23N3O6S.HCl." [] synonym: "Talampicillin hydrochloride" EXACT [KEGG COMPOUND:] synonym: "Talampicillin HCl" RELATED [ChemIDplus:] synonym: "C24H23N3O6S.HCl" RELATED FORMULA [KEGG COMPOUND:] synonym: "C24H24ClN3O6S" RELATED FORMULA [ChEBI:] synonym: "[H+].[Cl-].[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)[C@H](N)c1ccccc1)C(=O)OC1OC(=O)c2ccccc12" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C24H23N3O6S.ClH/c1-24(2)17(22(31)33-23-14-11-7-6-10-13(14)21(30)32-23)27-19(29)16(20(27)34-24)26-18(28)15(25)12-8-4-3-5-9-12;/h3-11,15-17,20,23H,25H2,1-2H3,(H,26,28);1H/t15-,16-,17+,20-,23?;/m1./s1" RELATED InChI [ChEBI:] synonym: "InChIKey=PAZSYTCTHYSIAO-WVFSJLEKSA-N" RELATED InChIKey [ChEBI:] xref: KEGG COMPOUND:39878-70-1 "CAS Registry Number" xref: KEGG DRUG:D02201 "KEGG DRUG" xref: Beilstein:5403837 "Beilstein Registry Number" xref: KEGG COMPOUND:C13978 "KEGG COMPOUND" is_a: CHEBI:36807 relationship: has_functional_parent CHEBI:9391 [Term] id: CHEBI:52712 name: bepridil hydrochloride def: "The hydrochloride of bepridil." [] synonym: "N-benzyl-N-[3-(2-methylpropoxy)-2-(pyrrolidin-1-yl)propyl]aniline hydrochloride" EXACT IUPAC_NAME [IUPAC:] synonym: "C24H35ClN2O" RELATED FORMULA [ChEBI:] synonym: "[H+].[Cl-].CC(C)COCC(CN(Cc1ccccc1)c1ccccc1)N1CCCC1" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C24H34N2O.ClH/c1-21(2)19-27-20-24(25-15-9-10-16-25)18-26(23-13-7-4-8-14-23)17-22-11-5-3-6-12-22;/h3-8,11-14,21,24H,9-10,15-20H2,1-2H3;1H" RELATED InChI [ChEBI:] synonym: "InChIKey=JXBBWYGMTNAYNM-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: ChemIDplus:68099-86-5 "CAS Registry Number" xref: Beilstein:6460230 "Beilstein Registry Number" is_a: CHEBI:36807 relationship: has_functional_parent CHEBI:3061 [Term] id: CHEBI:52715 name: bepridil hydrochloride monohydrate alt_id: CHEBI:3062 alt_id: CHEBI:52714 def: "The hydrochloride monohydrate of bepridril." [] synonym: "Bepridil hydrochloride hydrate" RELATED [KEGG DRUG:] synonym: "N-benzyl-N-[3-(2-methylpropoxy)-2-(pyrrolidin-1-yl)propyl]aniline hydrochloride--water (1/1)" EXACT IUPAC_NAME [IUPAC:] synonym: "Vascor" RELATED BRAND_NAME [KEGG DRUG:] synonym: "C24H34N2O.HCl.H2O" RELATED FORMULA [KEGG DRUG:] synonym: "C24H37ClN2O2" RELATED FORMULA [ChEBI:] synonym: "[H+].O.[Cl-].CC(C)COCC(CN(Cc1ccccc1)c1ccccc1)N1CCCC1" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C24H34N2O.ClH.H2O/c1-21(2)19-27-20-24(25-15-9-10-16-25)18-26(23-13-7-4-8-14-23)17-22-11-5-3-6-12-22;;/h3-8,11-14,21,24H,9-10,15-20H2,1-2H3;1H;1H2" RELATED InChI [ChEBI:] synonym: "InChIKey=UEECHQPWQHYEDE-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: Beilstein:8664991 "Beilstein Registry Number" xref: KEGG DRUG:74764-40-2 "CAS Registry Number" xref: ChemIDplus:74764-40-2 "CAS Registry Number" xref: KEGG DRUG:D00631 "KEGG DRUG" is_a: CHEBI:36807 relationship: has_functional_parent CHEBI:3061 is_a: CHEBI:35505 [Term] id: CHEBI:53188 name: verapamil hydrochloride alt_id: CHEBI:9949 def: "The hydrochloride of verapamil." [] synonym: "4-cyano-4-(3,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N,5-dimethylhexan-1-aminium chloride" EXACT IUPAC_NAME [IUPAC:] synonym: "C27H39ClN2O4" RELATED FORMULA [ChEBI:] synonym: "C27H38N2O4.HCl" RELATED FORMULA [KEGG DRUG:] synonym: "[H+].[Cl-].COc1ccc(CCN(C)CCCC(C#N)(C(C)C)c2ccc(OC)c(OC)c2)cc1OC" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C27H38N2O4.ClH/c1-20(2)27(19-28,22-10-12-24(31-5)26(18-22)33-7)14-8-15-29(3)16-13-21-9-11-23(30-4)25(17-21)32-6;/h9-12,17-18,20H,8,13-16H2,1-7H3;1H" RELATED InChI [ChEBI:] synonym: "InChIKey=DOQPXTMNIUCOSY-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: KEGG DRUG:152-11-4 "CAS Registry Number" xref: KEGG DRUG:D00619 "KEGG DRUG" xref: Beilstein:3647093 "Beilstein Registry Number" xref: ChemIDplus:152-11-4 "CAS Registry Number" xref: DrugBank:DB00661 "DrugBank" is_a: CHEBI:36807 relationship: has_part CHEBI:9948 [Term] id: CHEBI:4696 name: donepezil hydrochloride def: "Donepezil hydrochloride is a centrally acting reversible acetyl cholinesterase inhibitor. Its main therapeutic use is in the treatment of Alzheimer's disease where it is used to increase cortical acetylcholine." [] synonym: "(+-)-2-((1-Benzyl-4-piperidyl)methyl)-5,6-dimethoxy-1-indanone hydrochloride" RELATED [ChemIDplus:] synonym: "1-Benzyl-4-((5,6-dimethoxy-1-indanon)-2-yl)methylpiperidine hcl" RELATED [ChemIDplus:] synonym: "1-benzyl-4-[(5,6-dimethoxy-1-oxo-2,3-dihydro-1H-inden-2-yl)methyl]piperidinium chloride" EXACT IUPAC_NAME [IUPAC:] synonym: "Donepezil HCl" RELATED [ChemIDplus:] synonym: "Donepezil hydrochloride" EXACT [ChemIDplus:] synonym: "Donepezil hydrochloride" EXACT [KEGG COMPOUND:] synonym: "C24H29NO3.HCl" RELATED FORMULA [KEGG COMPOUND:] synonym: "C24H30ClNO3" RELATED FORMULA [ChEBI:] synonym: "[H+].[Cl-].COc1cc2CC(CC3CCN(CC3)Cc3ccccc3)C(=O)c2cc1OC" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C24H29NO3.ClH/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18;/h3-7,14-15,17,20H,8-13,16H2,1-2H3;1H" RELATED InChI [ChEBI:] synonym: "InChIKey=XWAIAVWHZJNZQQ-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: ChemIDplus:120011-70-3 "CAS Registry Number" xref: KEGG DRUG:120011-70-3 "CAS Registry Number" xref: KEGG DRUG:D00670 "KEGG DRUG" xref: Beilstein:7062905 "Beilstein Registry Number" xref: DrugBank:DB00843 "DrugBank" is_a: CHEBI:26151 relationship: has_parent_hydride CHEBI:37910 is_a: CHEBI:3992 relationship: has_role CHEBI:38462 is_a: CHEBI:36807 relationship: has_part CHEBI:53289 [Term] id: CHEBI:53308 name: poly\{3-[(S)-5-amino-5-carboxyl-3-oxapentyl]-2,5-thiophenylene hydrochloride\} macromolecule def: "A macromolecule composed of repeating (S)-2-amino-3-(2-(thiophen-3-yl)ethoxy)propanoic acid hydrochloride units." [] synonym: "poly{(1S)-1-carboxy-2-[2-(3-thienyl)ethoxy]ethanaminium chloride}" EXACT IUPAC_NAME [IUPAC:] synonym: "POWT" RELATED [SUBMITTER:] synonym: "poly{3-[(S)-5-amino-5-carboxyl-3-oxapentyl]-2,5-thiophenylene hydrochloride}" RELATED [ChEBI:] synonym: "(C9H12ClNO3S)n" RELATED FORMULA [ChEBI:] is_a: CHEBI:53222 is_a: CHEBI:36807 [Term] id: CHEBI:60621 name: poly\{3-[(S)-5-amino-5-carboxyl-3-oxapentyl]-2,5-thiophenylene hydrochloride\} polymer def: "A polythiophene polymer, composed of poly{3-[(S)-5-amino-5-carboxyl-3-oxapentyl]-2,5-thiophenylene hydrochloride} macromolecules." [] synonym: "POWT" RELATED [ChEBI:] synonym: "poly{3-[(S)-5-amino-5-carboxyl-3-oxapentyl]-2,5-thiophenylene hydrochloride}" RELATED [ChEBI:] is_a: CHEBI:60616 relationship: has_part CHEBI:53308 [Term] id: CHEBI:53305 name: poly(allylamine hydrochloride) def: "A polymer composed of propan-1-amine hydrochloride units." [] synonym: "poly(prop-2-en-1-aminium chloride)" EXACT IUPAC_NAME [IUPAC:] synonym: "PAH" RELATED [SUBMITTER:] synonym: "2-Propen-1-amine, hydrochloride, homopolymer" RELATED [ChemIDplus:] synonym: "Allylamine, hydrochloride, homopolymer" RELATED [ChemIDplus:] synonym: "2-Propen-1-amine, hydrochloride (1:1), homopolymer" RELATED [ChemIDplus:] synonym: "poly(allylaminehydrochloride)" RELATED [SUBMITTER:] synonym: "(C3H8ClN)n" RELATED FORMULA [ChEBI:] xref: ChemIDplus:71550-12-4 "CAS Registry Number" xref: Beilstein:8828228 "Beilstein Registry Number" is_a: CHEBI:53242 is_a: CHEBI:36807 [Term] id: CHEBI:53342 name: poly(diallylmethylammonium chloride) macromolecule def: "A macromolecule composed of repeating N-methyl-N-propylpropan-1-aminium chloride units." [] synonym: "poly(N-allyl-N-methylprop-2-en-1-aminium chloride)" EXACT IUPAC_NAME [IUPAC:] synonym: "polydiallylmethylammonium chloride" RELATED [SUBMITTER:] synonym: "PDADMAC" RELATED [SUBMITTER:] synonym: "poly(diallylmethylammonium chloride)" RELATED [ChEBI:] synonym: "(C7H16ClN)n" RELATED FORMULA [ChEBI:] is_a: CHEBI:37997 is_a: CHEBI:36807 is_a: CHEBI:46850 [Term] id: CHEBI:60612 name: poly(diallylmethylammonium chloride) polymer def: "A homopolymer, composed of poly(diallylmethylammonium chloride) macromolecules." [] synonym: "polydiallylmethylammonium chloride" RELATED [ChEBI:] synonym: "PDADMAC" RELATED [ChEBI:] synonym: "poly(diallylmethylammonium chloride)" RELATED [ChEBI:] is_a: CHEBI:60029 relationship: has_part CHEBI:53342 [Term] id: CHEBI:53367 name: 1-benzyl-2-chloromethylimidazole hydrochloride def: "The hydrochloride salt of 1-benzyl-2-chloromethylimidazole." [] synonym: "chlormethylimidazoline HCl" RELATED [ChEBI:] synonym: "1-benzyl-2-(chloromethyl)-1H-imidazole hydrochloride" EXACT IUPAC_NAME [IUPAC:] synonym: "C11H12Cl2N2" RELATED FORMULA [ChEBI:] synonym: "C11H11ClN2.HCl" RELATED FORMULA [ChEBI:] synonym: "[H+].[Cl-].ClCc1nccn1Cc1ccccc1" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C11H11ClN2.ClH/c12-8-11-13-6-7-14(11)9-10-4-2-1-3-5-10;/h1-7H,8-9H2;1H" RELATED InChI [ChEBI:] synonym: "InChIKey=IOOCHXMDSFPOGL-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: Beilstein:3723578 "Beilstein Registry Number" is_a: CHEBI:36807 relationship: has_part CHEBI:53432 [Term] id: CHEBI:53509 name: erlotinib hydrochloride def: "A quinazoline hydrochloride compound having a (3-ethynylphenyl)amino group at the 4-position and two 2-methoxyethoxy groups at the 6- and 7-positions." [] synonym: "Erlotinib HCl" RELATED [ChemIDplus:] synonym: "4-(m-Ethynylanilino)-6,7-bis(2-methoxyethoxy)quinazoline monohydrochloride" RELATED [ChemIDplus:] synonym: "N-(3-ethynylphenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine hydrochloride" EXACT IUPAC_NAME [IUPAC:] synonym: "C22H24ClN3O4" RELATED FORMULA [ChEBI:] synonym: "[H+].[Cl-].COCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCOC" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C22H23N3O4.ClH/c1-4-16-6-5-7-17(12-16)25-22-18-13-20(28-10-8-26-2)21(29-11-9-27-3)14-19(18)23-15-24-22;/h1,5-7,12-15H,8-11H2,2-3H3,(H,23,24,25);1H" RELATED InChI [ChEBI:] synonym: "InChIKey=GTTBEUCJPZQMDZ-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: ChemIDplus:183319-69-9 "CAS Registry Number" xref: Beilstein:8813963 "Beilstein Registry Number" xref: KEGG DRUG:183319-69-9 "CAS Registry Number" xref: KEGG DRUG:D04023 "KEGG DRUG" xref: DrugBank:DB00530 "DrugBank" is_a: CHEBI:36807 relationship: has_part CHEBI:114785 relationship: has_role CHEBI:37699 relationship: has_role CHEBI:35610 [Term] id: CHEBI:53452 name: N-(1-naphthyl)ethylenediamine dihydrochloride def: "An ethylenediamine dihydrochloride compound having an N-(1-naphthyl) substituent." [] synonym: "N-(1-Napthyl)ethylene diamine HCl" RELATED [ChemIDplus:] synonym: "N-(1-naphthyl)ethane-1,2-diaminium dichloride" EXACT IUPAC_NAME [IUPAC:] synonym: "N-1-Naphthalenyl-1,2-ethanediamine dihydrochloride" RELATED [ChemIDplus:] synonym: "Marshall's reagent" RELATED [SUBMITTER:] synonym: "N-(1-Naphthyl)ethylenediamine.2HCl" RELATED [SUBMITTER:] synonym: "N-(1-Napthyl)ethylene diamine dihydrochloride" RELATED [ChemIDplus:] synonym: "C12H16Cl2N2" RELATED FORMULA [ChEBI:] synonym: "[Cl-].[Cl-].[NH3+]CC[NH2+]c1cccc2ccccc12" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C12H14N2.2ClH/c13-8-9-14-12-7-3-5-10-4-1-2-6-11(10)12;;/h1-7,14H,8-9,13H2;2*1H" RELATED InChI [ChEBI:] synonym: "InChIKey=MZNYWPRCVDMOJG-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: ChemIDplus:1465-25-4 "CAS Registry Number" xref: Gmelin:1810634 "Gmelin Registry Number" xref: Beilstein:3707471 "Beilstein Registry Number" is_a: CHEBI:36807 relationship: has_part CHEBI:53510 [Term] id: CHEBI:53553 name: 2-(chloromethyl)-4,5-dihydro-1H-imidazole hydrochloride def: "A hydrochloride salt having 2-(chloromethyl)-4,5-dihydro-1H-imidazole as the basic component." [] synonym: "2-(chloromethyl)-4,5-dihydro-1H-imidazole hydrochloride" EXACT IUPAC_NAME [IUPAC:] synonym: "chlormethylimidazoline hydrochloride" RELATED [ChemIDplus:] synonym: "C4H8Cl2N2" RELATED FORMULA [ChEBI:] synonym: "Cl[H].ClCC1=NCCN1" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C4H7ClN2.ClH/c5-3-4-6-1-2-7-4;/h1-3H2,(H,6,7);1H" RELATED InChI [ChEBI:] synonym: "InChIKey=GHCCHMFFNHOXEU-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: Reaxys:3560966 "Reaxys Registry Number" xref: Beilstein:3560966 "Beilstein Registry Number" xref: CiteXplore:1032127 "PubMed citation" is_a: CHEBI:36807 relationship: has_part CHEBI:53552 [Term] id: CHEBI:53558 name: D-lysine hydrochloride def: "The hydrochloride salt of D-lysine." [] synonym: "D-lysine hydrochloride" EXACT IUPAC_NAME [IUPAC:] synonym: "D-2,6-diaminohexanoic acid monohydrochloride" RELATED [ChEBI:] synonym: "D-2,6-diaminohexanoic acid hydrochloride" RELATED [ChEBI:] synonym: "D-Lys hydrochloride" RELATED [ChEBI:] synonym: "D-lysine HCl" RELATED [ChEBI:] synonym: "D-Lysine monohydrochloride" RELATED [ChemIDplus:] synonym: "C6H15ClN2O2" RELATED FORMULA [ChEBI:] synonym: "Cl.NCCCC[C@@H](N)C(O)=O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C6H14N2O2.ClH/c7-4-2-1-3-5(8)6(9)10;/h5H,1-4,7-8H2,(H,9,10);1H/t5-;/m1./s1" RELATED InChI [ChEBI:] synonym: "InChIKey=BVHLGVCQOALMSV-NUBCRITNSA-N" RELATED InChIKey [ChEBI:] xref: CiteXplore:10930630 "PubMed citation" xref: ChemIDplus:7274-88-6 "CAS Registry Number" xref: Beilstein:4356907 "Beilstein Registry Number" is_a: CHEBI:36807 relationship: has_part CHEBI:16855 [Term] id: CHEBI:31647 name: gemcitabine hydrochloride def: "A 2'-deoxycytidine hydrochloriode having geminal fluoro substituents in the 2'-position. Gemcitabine hydrochloride is used in various carcinomas: non-small cell lung cancer, pancreatic cancer, bladder cancer and breast cancer." [] synonym: "2',2'-Difluorodeoxycytidine monohydrochloride" RELATED [ChemIDplus:] synonym: "2'-deoxy-2',2'-difluorocytidine hydrochloride" EXACT IUPAC_NAME [IUPAC:] synonym: "2'-Deoxy-2',2'-difluorocytidine monohydrochloride" RELATED [ChemIDplus:] synonym: "Gemcitabine HCl" RELATED [ChemIDplus:] synonym: "C9H12ClF2N3O4" RELATED FORMULA [ChEBI:] synonym: "C9H11F2N3O4.HCl" RELATED FORMULA [KEGG COMPOUND:] synonym: "[H+].[Cl-].Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)c(=O)n1" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C9H11F2N3O4.ClH/c10-9(11)6(16)4(3-15)18-7(9)14-2-1-5(12)13-8(14)17;/h1-2,4,6-7,15-16H,3H2,(H2,12,13,17);1H/t4-,6-,7-;/m1./s1" RELATED InChI [ChEBI:] synonym: "InChIKey=OKKDEIYWILRZIA-OSZBKLCCSA-N" RELATED InChIKey [ChEBI:] xref: KEGG DRUG:D01155 "KEGG DRUG" xref: KEGG DRUG:122111-03-9 "CAS Registry Number" xref: DrugBank:DB00441 "DrugBank" xref: Beilstein:5386970 "Beilstein Registry Number" xref: ChemIDplus:122111-03-9 "CAS Registry Number" is_a: CHEBI:37143 is_a: CHEBI:36807 relationship: has_part CHEBI:175901 relationship: has_role CHEBI:35705 relationship: has_role CHEBI:23924 relationship: has_role CHEBI:36044 relationship: has_role CHEBI:35221 relationship: has_role CHEBI:35610 [Term] id: CHEBI:53615 name: Bismark Brown Y def: "The dihydrochloride of 4,4'-[(4-methyl-1,3-phenylene)di-(E)-diazene-2,1-diyl]bis(6-methylbenzene-1,3-diamine), a diazo dye used in histology for staining tissues." [] synonym: "C.I. Basic Brown 1, dihydrochloride" RELATED [ChemIDplus:] synonym: "4,4'-[(4-methyl-1,3-phenylene)di-(E)-diazene-2,1-diyl]bis(6-methylbenzene-1,3-diamine) dihydrochloride" EXACT IUPAC_NAME [IUPAC:] synonym: "C21H26Cl2N8" RELATED FORMULA [ChEBI:] synonym: "Cl[H].Cl[H].Cc1cc(\\N=N\\c2ccc(C)c(c2)\\N=N\\c2cc(C)c(N)cc2N)c(N)cc1N" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C21H24N8.2ClH/c1-11-4-5-14(26-28-20-6-12(2)15(22)9-17(20)24)8-19(11)27-29-21-7-13(3)16(23)10-18(21)25;;/h4-10H,22-25H2,1-3H3;2*1H/b28-26+,29-27+;;" RELATED InChI [ChEBI:] synonym: "InChIKey=WLKAMFOFXYCYDK-CYXDXXRZSA-N" RELATED InChIKey [ChEBI:] xref: CiteXplore:18844695 "PubMed citation" xref: ChemIDplus:10114-58-6 "CAS Registry Number" is_a: CHEBI:36807 is_a: CHEBI:48960 relationship: has_role CHEBI:37958 [Term] id: CHEBI:53626 name: ethylenediamine dihydrochloride def: "The dihydrochloride of ethylenediamine." [] synonym: "Ethylenediammonium chloride" RELATED [ChemIDplus:] synonym: "Ethylenediammonium dichloride" RELATED [ChemIDplus:] synonym: "ethane-1,2-diamine dihydrochloride" EXACT IUPAC_NAME [IUPAC:] synonym: "Dimethylenediamine dihydrochloride" RELATED [ChemIDplus:] synonym: "1,2-Diaminoethane dihydrochloride" RELATED [ChemIDplus:] synonym: "C2H10Cl2N2" RELATED FORMULA [ChEBI:] synonym: "Cl[H].Cl[H].NCCN" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C2H8N2.2ClH/c3-1-2-4;;/h1-4H2;2*1H" RELATED InChI [ChEBI:] synonym: "InChIKey=OHHBFEVZJLBKEH-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: Beilstein:3665235 "Beilstein Registry Number" xref: ChemIDplus:333-18-6 "CAS Registry Number" xref: CiteXplore:18837732 "PubMed citation" is_a: CHEBI:36807 relationship: has_functional_parent CHEBI:30347 [Term] id: CHEBI:53633 name: L-lysine hydrochloride def: "The hydrochloride salt of L-lysine" [] synonym: "L-alpha,epsilondiaminocaproic acid monohydrochloride" RELATED [ChEBI:] synonym: "(S)-2,6-Diaminohexanoic acid monohydrochloride" RELATED [ChEBI:] synonym: "L-lysine hydrochloride" EXACT IUPAC_NAME [IUPAC:] synonym: "C6H15ClN2O2" RELATED FORMULA [ChEBI:] synonym: "Cl.NCCCC[C@H](N)C(O)=O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C6H14N2O2.ClH/c7-4-2-1-3-5(8)6(9)10;/h5H,1-4,7-8H2,(H,9,10);1H/t5-;/m0./s1" RELATED InChI [ChEBI:] synonym: "InChIKey=BVHLGVCQOALMSV-JEDNCBNOSA-N" RELATED InChIKey [ChEBI:] xref: Beilstein:3563889 "Beilstein Registry Number" xref: ChemIDplus:657-27-2 "CAS Registry Number" xref: CiteXplore:10930630 "PubMed citation" is_a: CHEBI:36807 relationship: has_part CHEBI:18019 [Term] id: CHEBI:53783 name: alosetron hydrochloride def: "The hydrochloride salt of alosetron." [] synonym: "2,3,4,5-Tetrahydro-5-methyl-2-((5-methylimidazol-4-yl)methyl)-1H-pyrido(4,3-b)indol-1-one monohydrochloride" RELATED [ChemIDplus:] synonym: "5-methyl-2-[(5-methyl-1H-imidazol-4-yl)methyl]-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indol-1-one hydrochloride" EXACT IUPAC_NAME [IUPAC:] synonym: "alosetron" RELATED INN [ChEBI:] synonym: "Alosetron HCl" RELATED [DrugBank:] synonym: "C17H18N4O.HCl" RELATED FORMULA [KEGG DRUG:] synonym: "C17H19ClN4O" RELATED FORMULA [ChEBI:] synonym: "[H+].[Cl-].Cc1[nH]cnc1CN1CCc2c(C1=O)c1ccccc1n2C" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C17H18N4O.ClH/c1-11-13(19-10-18-11)9-21-8-7-15-16(17(21)22)12-5-3-4-6-14(12)20(15)2;/h3-6,10H,7-9H2,1-2H3,(H,18,19);1H" RELATED InChI [ChEBI:] synonym: "InChIKey=FNYQZOVOVDSGJH-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: ChemIDplus:122852-69-1 "CAS Registry Number" xref: Beilstein:8455746 "Beilstein Registry Number" xref: KEGG DRUG:D02829 "KEGG DRUG" xref: DrugBank:DB00969 "DrugBank" xref: KEGG DRUG:122852-69-1 "CAS Registry Number" is_a: CHEBI:36807 relationship: has_part CHEBI:253342 relationship: has_role CHEBI:50919 relationship: has_role CHEBI:48279 [Term] id: CHEBI:53786 name: alverine hydrochloride def: "The hydrochloride salt of alverine." [] synonym: "Ethylbis(3-phenylpropyl)ammonium chloride" RELATED [ChEBI:] synonym: "N-ethyl-3-phenyl-N-(3-phenylpropyl)propan-1-amine hydrochloride" EXACT IUPAC_NAME [IUPAC:] synonym: "C20H27N.HCl" RELATED FORMULA [ChEBI:] synonym: "C20H28ClN" RELATED FORMULA [ChEBI:] synonym: "Cl.CCN(CCCc1ccccc1)CCCc1ccccc1" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C20H27N.ClH/c1-2-21(17-9-15-19-11-5-3-6-12-19)18-10-16-20-13-7-4-8-14-20;/h3-8,11-14H,2,9-10,15-18H2,1H3;1H" RELATED InChI [ChEBI:] synonym: "InChIKey=ZKRKHXXSBDSIKQ-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: DrugBank:DB01616 "DrugBank" xref: DrugBank:5982-87-6 "CAS Registry Number" xref: ChemIDplus:5982-87-6 "CAS Registry Number" is_a: CHEBI:36807 is_a: CHEBI:46850 relationship: has_role CHEBI:53784 relationship: has_part CHEBI:64320 [Term] id: CHEBI:55340 name: morphine hydrochloride def: "The hydrochloride salt of morphine." [] synonym: "morphine-HCl" RELATED [ChEBI:] synonym: "Morphine HCl" RELATED [ChemIDplus:] synonym: "17-methyl-7,8-didehydro-4,5alpha-epoxymorphinan-3,6alpha-diol hydrochloride" EXACT IUPAC_NAME [IUPAC:] synonym: "Morphine chlorhydrate" RELATED [ChemIDplus:] synonym: "Morphine chloride" RELATED [ChemIDplus:] synonym: "C17H20ClNO3" RELATED FORMULA [ChEBI:] synonym: "Cl.[H][C@]12C=C[C@H](O)[C@@H]3Oc4c(O)ccc5C[C@H]1N(C)CC[C@@]23c45" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C17H19NO3.ClH/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18;/h2-5,10-11,13,16,19-20H,6-8H2,1H3;1H/t10-,11+,13-,16-,17-;/m0./s1" RELATED InChI [ChEBI:] synonym: "InChIKey=XCKKIKBIPZJUET-VYKNHSEDSA-N" RELATED InChIKey [ChEBI:] xref: Beilstein:3786605 "Beilstein Registry Number" xref: DrugBank:DB00295 "DrugBank" xref: ChemIDplus:52-26-6 "CAS Registry Number" xref: CiteXplore:6196640 "PubMed citation" is_a: CHEBI:36807 relationship: has_part CHEBI:17303 [Term] id: CHEBI:55348 name: morphine hydrochloride trihydrate def: "The trihydrate of morphine hydrochloride." [] synonym: "17-methyl-7,8-didehydro-4,5alpha-epoxymorphinan-3,6alpha-diol--water (1/3)" EXACT IUPAC_NAME [IUPAC:] synonym: "17-methyl-7,8-didehydro-4,5alpha-epoxymorphinan-3,6alpha-diol hydrochloride trihydrate" EXACT IUPAC_NAME [IUPAC:] synonym: "C17H19NO3.3H2O.HCl" RELATED FORMULA [KEGG DRUG:] synonym: "C17H26ClNO6" RELATED FORMULA [ChEBI:] synonym: "Cl.[H]O[H].[H]O[H].[H]O[H].[H][C@]12C=C[C@H](O)[C@@H]3Oc4c(O)ccc5C[C@H]1N(C)CC[C@@]23c45" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C17H19NO3.ClH.3H2O/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18;;;;/h2-5,10-11,13,16,19-20H,6-8H2,1H3;1H;3*1H2/t10-,11+,13-,16-,17-;;;;/m0..../s1" RELATED InChI [ChEBI:] synonym: "InChIKey=XELXKCKNPPSFNN-BJWPBXOKSA-N" RELATED InChIKey [ChEBI:] xref: KEGG DRUG:6055-06-7 "CAS Registry Number" xref: KEGG DRUG:D02271 "KEGG DRUG" is_a: CHEBI:35505 relationship: has_part CHEBI:55340 relationship: has_role CHEBI:35482 relationship: has_role CHEBI:51177 relationship: has_role CHEBI:55323 [Term] id: CHEBI:55345 name: anagrelide hydrochloride def: "The hydrochloride salt of anagrelide." [] synonym: "anagrelidum" RELATED INN [ChEBI:] synonym: "6,7-Dichloro-1,5-dihydroimidazo(2,1-b)-quinazolin-2(3H)-one monohydrochloride" RELATED [ChemIDplus:] synonym: "Anagrelide HCL" RELATED [DrugBank:] synonym: "6,7-dichloro-1,5-dihydroimidazo[2,1-b]quinazolin-2(3H)-one hydrochloride" EXACT IUPAC_NAME [IUPAC:] synonym: "anagrelide" RELATED INN [ChEBI:] synonym: "Anagrelid hydrochlorid" RELATED [ChemIDplus:] synonym: "anagrelida" RELATED INN [ChEBI:] synonym: "C10H9Cl2N3O.HCl" RELATED FORMULA [ChEBI:] synonym: "C10H8Cl3N3O" RELATED FORMULA [ChEBI:] synonym: "Cl.Clc1ccc2N=C3NC(=O)CN3Cc2c1Cl" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C10H7Cl2N3O.ClH/c11-6-1-2-7-5(9(6)12)3-15-4-8(16)14-10(15)13-7;/h1-2H,3-4H2,(H,13,14,16);1H" RELATED InChI [ChEBI:] synonym: "InChIKey=TVWRQCIPWUCNMI-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: DrugBank:DB00261 "DrugBank" xref: KEGG DRUG:58579-51-4 "CAS Registry Number" xref: Beilstein:4614131 "Beilstein Registry Number" xref: KEGG DRUG:D02933 "KEGG DRUG" xref: ChemIDplus:58579-51-4 "CAS Registry Number" is_a: CHEBI:36807 relationship: has_part CHEBI:142290 relationship: has_role CHEBI:48675 relationship: has_role CHEBI:50427 [Term] id: CHEBI:2789 name: apraclonidine hydrochloride def: "The hydrochloride salt of apraclonidine." [] synonym: "Apraclonidine HCl" RELATED [ChemIDplus:] synonym: "apraclonidinum" RELATED INN [DrugBank:] synonym: "apraclonidine" RELATED INN [ChEBI:] synonym: "2,6-Dichloro-N(1)-(2-imidazolidinylidene)-1,4-benzenediamine hydrochloride" RELATED [ChemIDplus:] synonym: "2,6-Dichloro-N(1)-(4,5-dihydro-1H-imidazol-2-yl)-1,4-benzenediamine monohydrochloride" RELATED [ChemIDplus:] synonym: "p-Aminoclonidine Hydrochloride" RELATED [DrugBank:] synonym: "apraclonidina" RELATED INN [DrugBank:] synonym: "2-(4-Amino-2,6-dichlorophenylimino)imidazolidine hydrochloride" RELATED [ChemIDplus:] synonym: "3,5-Dichloro-4-(2-imidazolidinylidenimino)aniline hydrochloride" RELATED [ChemIDplus:] synonym: "2-((4-Amino-2,6-dichlorophenyl)imino)imidazolidine monohydrochloride" RELATED [ChemIDplus:] synonym: "C9H11Cl3N4" RELATED FORMULA [ChEBI:] synonym: "C9H10Cl2N4.HCl" RELATED FORMULA [KEGG DRUG:] synonym: "Cl.Nc1cc(Cl)c(NC2=NCCN2)c(Cl)c1" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C9H10Cl2N4.ClH/c10-6-3-5(12)4-7(11)8(6)15-9-13-1-2-14-9;/h3-4H,1-2,12H2,(H2,13,14,15);1H" RELATED InChI [ChEBI:] synonym: "InChIKey=OTQYGBJVDRBCHC-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: DrugBank:DB00964 "DrugBank" xref: KEGG DRUG:73218-79-8 "CAS Registry Number" xref: ChemIDplus:73218-79-8 "CAS Registry Number" xref: KEGG DRUG:D01008 "KEGG DRUG" xref: Beilstein:8802997 "Beilstein Registry Number" is_a: CHEBI:36807 relationship: has_part CHEBI:2788 relationship: has_role CHEBI:35569 relationship: has_role CHEBI:39456 [Term] id: CHEBI:331697 name: atomoxetine hydrochloride def: "The hydrochloride salt of atomoxetine." [] synonym: "atomoxetine" RELATED INN [ChEBI:] synonym: "Atomoxetine HCl" RELATED [ChemIDplus:] synonym: "tomoxetine" RELATED INN [DrugBank:] synonym: "(R)-(-)-Tomoxetine hydrochloride" RELATED [ChemIDplus:] synonym: "(-)-N-Methyl-3-phenyl-3-(o-tolyloxy)propylamine hydrochloride" RELATED [ChemIDplus:] synonym: "(3R)-N-methyl-3-(2-methylphenoxy)-3-phenylpropan-1-amine hydrochloride" EXACT IUPAC_NAME [IUPAC:] synonym: "(R)-Tomoxetine hydrochloride" RELATED [ChemIDplus:] synonym: "Tomoxetine hydrochloride" RELATED [KEGG DRUG:] synonym: "C17H22ClNO" RELATED FORMULA [ChEBI:] synonym: "Cl.CNCC[C@@H](Oc1ccccc1C)c1ccccc1" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C17H21NO.ClH/c1-14-8-6-7-11-16(14)19-17(12-13-18-2)15-9-4-3-5-10-15;/h3-11,17-18H,12-13H2,1-2H3;1H/t17-;/m1./s1" RELATED InChI [ChEBI:] synonym: "InChIKey=LUCXVPAZUDVVBT-UNTBIKODSA-N" RELATED InChIKey [ChEBI:] xref: DrugBank:DB00289 "DrugBank" xref: KEGG DRUG:D02574 "KEGG DRUG" xref: Beilstein:5318974 "Beilstein Registry Number" xref: ChemIDplus:82248-59-7 "CAS Registry Number" xref: KEGG DRUG:82248-59-7 "CAS Registry Number" xref: DrugBank:82248-59-7 "CAS Registry Number" is_a: CHEBI:36807 relationship: has_part CHEBI:127342 relationship: has_role CHEBI:35469 relationship: has_role CHEBI:35640 [Term] id: CHEBI:2951 name: azelastine hydrochloride def: "The hydrochloride salt of azelastine." [] synonym: "4-(p-Chlorobenzyl)-2-(hexahydro-1-methyl-1H-azepin-4-yl)-1(2H)-phthalazinone monohydrochloride" RELATED [ChemIDplus:] synonym: "azelastinum" RELATED INN [DrugBank:] synonym: "azelastina" RELATED INN [DrugBank:] synonym: "Azelastine HCl" RELATED [ChemIDplus:] synonym: "azelastine" RELATED INN [ChEBI:] synonym: "4-(4-chlorobenzyl)-2-(1-methylazepan-4-yl)phthalazin-1(2H)-one hydrochloride" EXACT IUPAC_NAME [IUPAC:] synonym: "C22H24ClN3O.HCl" RELATED FORMULA [KEGG DRUG:] synonym: "C22H25Cl2N3O" RELATED FORMULA [ChEBI:] synonym: "Cl.CN1CCCC(CC1)n1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C22H24ClN3O.ClH/c1-25-13-4-5-18(12-14-25)26-22(27)20-7-3-2-6-19(20)21(24-26)15-16-8-10-17(23)11-9-16;/h2-3,6-11,18H,4-5,12-15H2,1H3;1H" RELATED InChI [ChEBI:] synonym: "InChIKey=YEJAJYAHJQIWNU-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: KEGG DRUG:D00659 "KEGG DRUG" xref: KEGG DRUG:79307-93-0 "CAS Registry Number" xref: Beilstein:4834474 "Beilstein Registry Number" xref: DrugBank:DB00972 "DrugBank" xref: ChemIDplus:79307-93-0 "CAS Registry Number" is_a: CHEBI:36807 relationship: has_part CHEBI:2950 relationship: has_role CHEBI:50427 relationship: has_role CHEBI:35523 relationship: has_role CHEBI:49167 relationship: has_role CHEBI:50857 relationship: has_role CHEBI:37955 relationship: has_role CHEBI:64964 [Term] id: CHEBI:55368 name: mechlorethamine hydrochloride def: "The hydrochloride salt of mechlorethamine." [] synonym: "1,5-Dichloro-3-methyl-3-azapentane hydrochloride" RELATED [ChemIDplus:] synonym: "Bis(2-chloroethyl)methylamine hydrochloride" RELATED [ChemIDplus:] synonym: "Chloramin" RELATED [ChemIDplus:] synonym: "N-Methyl-bis-beta-chlorethylamine hydrochloride" RELATED [ChemIDplus:] synonym: "Di(2-chloroethyl)methylamine hydrochloride" RELATED [ChemIDplus:] synonym: "Mechlorethamine chloridrate" RELATED [ChemIDplus:] synonym: "Mustine hydrochloride" RELATED [ChemIDplus:] synonym: "Stickstofflost" RELATED [ChemIDplus:] synonym: "Methyldi(2-chloroethyl)amine hydrochloride" RELATED [ChemIDplus:] synonym: "N-Methyl-2,2'-dichlorodiethylamine hydrochloride" RELATED [ChemIDplus:] synonym: "Mustin hydrochloride" RELATED [ChemIDplus:] synonym: "N-Methyl-di-2-chloroethylamine hydrochloride" RELATED [ChemIDplus:] synonym: "N-Mustard" RELATED [ChemIDplus:] synonym: "2-chloro-N-(2-chloroethyl)-N-methylethanamine hydrochloride" EXACT IUPAC_NAME [IUPAC:] synonym: "Chlorethamine" RELATED [ChemIDplus:] synonym: "Methyldi(beta-chloroethyl)amine hydrochloride" RELATED [ChemIDplus:] synonym: "N-Methylbis(2-chloroethyl)amine hydrochloride" RELATED [ChemIDplus:] synonym: "beta,beta'-Dichlorodiethyl-N-methylamine hydrochloride" RELATED [ChemIDplus:] synonym: "Chlormethine hydrochloride" RELATED [ChemIDplus:] synonym: "Dichloromethyldiethylamine hydrochloride" RELATED [ChemIDplus:] synonym: "Methylbis(2-chloroethyl)amine hydrochloride" RELATED [ChemIDplus:] synonym: "Nitrogranulogen hydrochloride" RELATED [ChemIDplus:] synonym: "Mechlorethamine HCl" RELATED [ChemIDplus:] synonym: "Stickstofflost-ebewe" RELATED [ChemIDplus:] synonym: "N,N-Bis(2-chloraethyl)methylamin-hydrochlorid" RELATED [ChemIDplus:] synonym: "2-chloro-N-(2-chloroethyl)-N-methylethanamine hydrochloride" RELATED [ChemIDplus:] synonym: "N,N-Bis(2-chloroethyl)methylamine hydrochloride" RELATED [ChemIDplus:] synonym: "Nitrogen mustard hydrochloride" RELATED [ChemIDplus:] synonym: "2,2'-Dichloro-N-methyldiethylamine hydrochloride" RELATED [ChemIDplus:] synonym: "Methyl-bis(beta-chloroethyl)amine hydrochloride" RELATED [ChemIDplus:] synonym: "Chlormethinum" RELATED [ChemIDplus:] synonym: "HN2 hydrochloride" RELATED [ChemIDplus:] synonym: "C5H12Cl3N" RELATED FORMULA [ChEBI:] synonym: "Cl.CN(CCCl)CCCl" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C5H11Cl2N.ClH/c1-8(4-2-6)5-3-7;/h2-5H2,1H3;1H" RELATED InChI [ChEBI:] synonym: "InChIKey=QZIQJVCYUQZDIR-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: DrugBank:DB00888 "DrugBank" xref: KEGG DRUG:D04872 "KEGG DRUG" xref: ChemIDplus:55-86-7 "CAS Registry Number" xref: Beilstein:3670938 "Beilstein Registry Number" xref: CiteXplore:911169 "PubMed citation" is_a: CHEBI:36807 relationship: has_part CHEBI:28925 relationship: has_role CHEBI:35610 [Term] id: CHEBI:31370 name: cefmenoxime hydrochloride def: "The hemihydrochloride salt of cefmenoxime." [] synonym: "(6R,7R)-7-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid hydrochloride (2:1)" EXACT IUPAC_NAME [IUPAC:] synonym: "7beta-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-3,4-didehydropenam-4-carboxylic acid hydrochloride (2:1)" EXACT IUPAC_NAME [IUPAC:] synonym: "Cefmenoxime HCl" RELATED [ChemIDplus:] synonym: "CMX" RELATED [KEGG DRUG:] synonym: "Cefmenoxime hemihydrochloride" RELATED [ChemIDplus:] synonym: "C32H35ClN18O10S6" RELATED FORMULA [ChEBI:] synonym: "2C16H17N9O5S3.HCl" RELATED FORMULA [KEGG DRUG:] synonym: "[H+].[Cl-].[H][C@]12SCC(CSc3nnnn3C)=C(N1C(=O)[C@H]2NC(=O)C(=N/OC)\\c1csc(N)n1)C(O)=O.[H][C@]12SCC(CSc3nnnn3C)=C(N1C(=O)[C@H]2NC(=O)C(=N/OC)\\c1csc(N)n1)C(O)=O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/2C16H17N9O5S3.ClH/c2*1-24-16(20-22-23-24)33-4-6-3-31-13-9(12(27)25(13)10(6)14(28)29)19-11(26)8(21-30-2)7-5-32-15(17)18-7;/h2*5,9,13H,3-4H2,1-2H3,(H2,17,18)(H,19,26)(H,28,29);1H/b2*21-8-;/t2*9-,13-;/m11./s1" RELATED InChI [ChEBI:] synonym: "InChIKey=MPTNDTIREFCQLK-UNVJPQNDSA-N" RELATED InChIKey [ChEBI:] xref: KEGG DRUG:D01739 "KEGG DRUG" xref: KEGG DRUG:75738-58-8 "CAS Registry Number" xref: ChemIDplus:75738-58-8 "CAS Registry Number" xref: Beilstein:5710303 "Beilstein Registry Number" is_a: CHEBI:36807 relationship: has_part CHEBI:55490 [Term] id: CHEBI:55524 name: monoethylglycinexylidide hydrochloride def: "The hydrochloride salt of monoethylglycinexylidide." [] synonym: "MEGX hydrochloride" RELATED [ChEBI:] synonym: "MEGX" RELATED [ChEBI:] synonym: "N-(2,6-dimethylphenyl)-N(2)-ethylglycinamide hydrochloride" EXACT IUPAC_NAME [IUPAC:] synonym: "C12H19ClN2O" RELATED FORMULA [ChEBI:] synonym: "Cl.CCNCC(=O)Nc1c(C)cccc1C" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C12H18N2O.ClH/c1-4-13-8-11(15)14-12-9(2)6-5-7-10(12)3;/h5-7,13H,4,8H2,1-3H3,(H,14,15);1H" RELATED InChI [ChEBI:] synonym: "InChIKey=KPXFVVHMUVBVGI-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: CiteXplore:9989796 "PubMed citation" xref: Beilstein:3727115 "Beilstein Registry Number" is_a: CHEBI:36807 relationship: has_part CHEBI:222828 [Term] id: CHEBI:55539 name: glycinexylidide hydrochloride def: "The hydrochloride salt of glycinexylidide." [] synonym: "GX-HCl" RELATED [ChEBI:] synonym: "N-(2,6-dimethylphenyl)glycinamide hydrochloride" EXACT IUPAC_NAME [IUPAC:] synonym: "glycinexylidide HCl" RELATED [ChEBI:] synonym: "C10H15ClN2O" RELATED FORMULA [ChEBI:] synonym: "Cl.Cc1cccc(C)c1NC(=O)CN" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C10H14N2O.ClH/c1-7-4-3-5-8(2)10(7)12-9(13)6-11;/h3-5H,6,11H2,1-2H3,(H,12,13);1H" RELATED InChI [ChEBI:] synonym: "InChIKey=HPVGPNNVMZBKIB-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: Beilstein:5159019 "Beilstein Registry Number" xref: CiteXplore:9989796 "PubMed citation" is_a: CHEBI:36807 relationship: has_part CHEBI:357241 [Term] id: CHEBI:6760 name: mepivacaine hydrochloride def: "The hydrochloride salt of mepivacaine. It is used as a local anaesthetic." [] synonym: "1-methyl-2',6'-pipecoloxylidide hydrochloride" RELATED [ChemIDplus:] synonym: "1-methyl-2',6'-pipecoloxylidide monohydrochloride" RELATED [ChemIDplus:] synonym: "(1-methyl-DL-piperidine-2-carboxylic acid)-2,6-dimethylanilide hydrochloride" RELATED [ChemIDplus:] synonym: "N-(2,6-dimethylphenyl)-1-methylpiperidine-2-carboxamide hydrochloride (1:1)" EXACT IUPAC_NAME [IUPAC:] synonym: "mepivacaine HCl" RELATED [ChemIDplus:] synonym: "(+-)-1-methyl-2',6'-pipecoloxylidide monohydrochloride" RELATED [ChemIDplus:] synonym: "C15H23ClN2O" RELATED FORMULA [ChEBI:] synonym: "Cl.CN1CCCCC1C(=O)Nc1c(C)cccc1C" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C15H22N2O.ClH/c1-11-7-6-8-12(2)14(11)16-15(18)13-9-4-5-10-17(13)3;/h6-8,13H,4-5,9-10H2,1-3H3,(H,16,18);1H" RELATED InChI [ChEBI:] synonym: "InChIKey=RETIMRUQNCDCQB-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: DrugBank:DB00961 "DrugBank" xref: Beilstein:3734352 "Beilstein Registry Number" xref: ChemIDplus:1722-62-9 "CAS Registry Number" xref: KEGG DRUG:D00738 "KEGG DRUG" is_a: CHEBI:48592 relationship: has_role CHEBI:36333 is_a: CHEBI:36807 relationship: has_functional_parent CHEBI:6759 [Term] id: CHEBI:59167 name: bambuterol hydrochloride def: "The hydrochloride salt of bambuterol. A long acting beta-adrenoceptor agonist used in the treatment of asthma, it is a prodrug for terbutaline." [] synonym: "5-[2-(tert-butylamino)-1-hydroxyethyl]benzene-1,3-diyl bis(dimethylcarbamate) hydrochloride" EXACT IUPAC_NAME [IUPAC:] synonym: "bambuterol HCl" RELATED [ChemIDplus:] synonym: "C18H30ClN3O5" RELATED FORMULA [ChEBI:] synonym: "Cl.CN(C)C(=O)Oc1cc(OC(=O)N(C)C)cc(c1)C(O)CNC(C)(C)C" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C18H29N3O5.ClH/c1-18(2,3)19-11-15(22)12-8-13(25-16(23)20(4)5)10-14(9-12)26-17(24)21(6)7;/h8-10,15,19,22H,11H2,1-7H3;1H" RELATED InChI [ChEBI:] synonym: "InChIKey=LBARATORRVNNQM-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: Beilstein:9451479 "Beilstein Registry Number" xref: KEGG DRUG:D07489 "KEGG DRUG" xref: KEGG DRUG:81732-46-9 "CAS Registry Number" xref: ChemIDplus:81732-46-9 "CAS Registry Number" xref: DrugBank:DB01408 "DrugBank" xref: Patent:US6075048 "Patent" is_a: CHEBI:36807 relationship: has_part CHEBI:553827 relationship: has_role CHEBI:49167 relationship: has_role CHEBI:35523 relationship: has_role CHEBI:50266 relationship: has_role CHEBI:35522 relationship: has_role CHEBI:35524 relationship: has_role CHEBI:38462 is_a: CHEBI:23003 is_a: CHEBI:25990 [Term] id: CHEBI:59182 name: (R)-bambuterol hydrochloride def: "The hydrochloride salt of (R)-bambuterol." [] synonym: "5-[(1R)-2-(tert-butylamino)-1-hydroxyethyl]benzene-1,3-diyl bis(dimethylcarbamate) hydrochloride" EXACT IUPAC_NAME [IUPAC:] synonym: "(R)-terbutaline bis(dimethylcarbamate) hydrochloride" RELATED [ChEBI:] synonym: "(R)-bambuterol HCl" RELATED [ChEBI:] synonym: "(R)-terbutaline bisdimethylcarbamate hydrochloride" RELATED [ChEBI:] synonym: "C18H30ClN3O5" RELATED FORMULA [ChEBI:] synonym: "Cl.CN(C)C(=O)Oc1cc(OC(=O)N(C)C)cc(c1)[C@@H](O)CNC(C)(C)C" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C18H29N3O5.ClH/c1-18(2,3)19-11-15(22)12-8-13(25-16(23)20(4)5)10-14(9-12)26-17(24)21(6)7;/h8-10,15,19,22H,11H2,1-7H3;1H/t15-;/m0./s1" RELATED InChI [ChEBI:] synonym: "InChIKey=LBARATORRVNNQM-RSAXXLAASA-N" RELATED InChIKey [ChEBI:] is_a: CHEBI:59167 relationship: is_enantiomer_of CHEBI:59183 [Term] id: CHEBI:59183 name: (S)-bambuterol hydrochloride def: "The hydrochloride salt of (S)-bambuterol." [] synonym: "5-[(1S)-2-(tert-butylamino)-1-hydroxyethyl]benzene-1,3-diyl bis(dimethylcarbamate) hydrochloride" EXACT IUPAC_NAME [IUPAC:] synonym: "(S)-terbutaline bisdimethylcarbamate hydrochloride" RELATED [ChEBI:] synonym: "(S)-bambuterol HCl" RELATED [ChEBI:] synonym: "(S)-terbutaline bis(dimethylcarbamate) hydrochloride" RELATED [ChEBI:] synonym: "C18H30ClN3O5" RELATED FORMULA [ChEBI:] synonym: "Cl.CN(C)C(=O)Oc1cc(OC(=O)N(C)C)cc(c1)[C@H](O)CNC(C)(C)C" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C18H29N3O5.ClH/c1-18(2,3)19-11-15(22)12-8-13(25-16(23)20(4)5)10-14(9-12)26-17(24)21(6)7;/h8-10,15,19,22H,11H2,1-7H3;1H/t15-;/m1./s1" RELATED InChI [ChEBI:] synonym: "InChIKey=LBARATORRVNNQM-XFULWGLBSA-N" RELATED InChIKey [ChEBI:] is_a: CHEBI:59167 relationship: is_enantiomer_of CHEBI:59182 [Term] id: CHEBI:59169 name: benzphetamine hydrochloride def: "The hydrochloride salt of benzphetamine. A sympathomimetic agent with properties similar to dextroamphetamine, it is used in the treatment of obesity." [] synonym: "(2S)-N-benzyl-1-phenylpropan-2-aminium chloride" RELATED [IUPAC:] synonym: "(+)-N-benzyl-N,alpha-dimethylphenethylamine hydrochloride" RELATED [ChemIDplus:] synonym: "benzphetamine HCl" RELATED [ChemIDplus:] synonym: "(2S)-N-benzyl-1-phenylpropan-2-amine hydrochloride (1:1)" EXACT IUPAC_NAME [IUPAC:] synonym: "C17H22ClN" RELATED FORMULA [ChEBI:] synonym: "[Cl-].C[C@@H](Cc1ccccc1)[NH+](C)Cc1ccccc1" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C17H21N.ClH/c1-15(13-16-9-5-3-6-10-16)18(2)14-17-11-7-4-8-12-17;/h3-12,15H,13-14H2,1-2H3;1H/t15-;/m0./s1" RELATED InChI [ChEBI:] synonym: "InChIKey=ANFSNXAXVLRZCG-RSAXXLAASA-N" RELATED InChIKey [ChEBI:] xref: Beilstein:3917155 "Beilstein Registry Number" xref: ChemIDplus:5411-22-3 "CAS Registry Number" is_a: CHEBI:36807 relationship: has_part CHEBI:3044 relationship: has_role CHEBI:35640 relationship: has_role CHEBI:50507 relationship: has_role CHEBI:51039 relationship: has_role CHEBI:35524 [Term] id: CHEBI:31280 name: betazole dihydrochloride def: "The dihydrochloride salt of betazole." [] synonym: "2-(1H-pyrazol-3-yl)ethanamine dihydrochloride" EXACT IUPAC_NAME [IUPAC:] synonym: "ametazole dihydrochloride" RELATED [ChemIDplus:] synonym: "betazole hydrochloride" RELATED [KEGG DRUG:] synonym: "2-(3-pyrazolyl)ethylamine dihydrochloride" RELATED [ChemIDplus:] synonym: "3-(2-aminoethyl)pyrazole dihydrochloride" RELATED [ChemIDplus:] synonym: "2-(1H-pyrazol-5-yl)ethanamine dihydrochloride" RELATED [IUPAC:] synonym: "3-beta-aminoethylpyrazole dihydrochloride" RELATED [ChemIDplus:] synonym: "C5H11Cl2N3" RELATED FORMULA [ChEBI:] synonym: "C5H9N3.2HCl" RELATED FORMULA [KEGG DRUG:] synonym: "Cl.Cl.NCCc1cc[nH]n1" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C5H9N3.2ClH/c6-3-1-5-2-4-7-8-5;;/h2,4H,1,3,6H2,(H,7,8);2*1H" RELATED InChI [ChEBI:] synonym: "InChIKey=BUXCUOWXTOKEMQ-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: KEGG DRUG:138-92-1 "CAS Registry Number" xref: ChemIDplus:138-92-1 "CAS Registry Number" xref: Beilstein:3689007 "Beilstein Registry Number" xref: KEGG DRUG:D01187 "KEGG DRUG" is_a: CHEBI:36807 relationship: has_part CHEBI:59170 relationship: has_role CHEBI:35678 relationship: has_role CHEBI:33295 is_a: CHEBI:26410 relationship: has_role CHEBI:55324 [Term] id: CHEBI:31282 name: bevantolol hydrochloride def: "The hydrochloride salt of bevantolol." [] synonym: "(+-)-1-((3,4-dimethoxyphenethyl)amino)-3-(m-tolyloxy)-2-propanol hydrochloride" RELATED [ChemIDplus:] synonym: "bevantolol hydrochloride" EXACT [ChemIDplus:] synonym: "1-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-3-(3-methylphenoxy)propan-2-ol hydrochloride" EXACT IUPAC_NAME [IUPAC:] synonym: "bevantolol HCl" RELATED [ChemIDplus:] synonym: "N-[2-(3,4-dimethoxyphenyl)ethyl]-2-hydroxy-3-(3-methylphenoxy)propan-1-aminium chloride" RELATED [IUPAC:] synonym: "1-(3,4-dimethoxyphenethylamino)-3-m-tolyloxy-propan-2-ol hydrochloride" RELATED [ChEBI:] synonym: "C20H28ClNO4" RELATED FORMULA [ChEBI:] synonym: "[Cl-].COc1ccc(CC[NH2+]CC(O)COc2cccc(C)c2)cc1OC" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C20H27NO4.ClH/c1-15-5-4-6-18(11-15)25-14-17(22)13-21-10-9-16-7-8-19(23-2)20(12-16)24-3;/h4-8,11-12,17,21-22H,9-10,13-14H2,1-3H3;1H" RELATED InChI [ChEBI:] synonym: "InChIKey=FJTKCFSPYUMXJB-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: KEGG DRUG:D01369 "KEGG DRUG" xref: KEGG DRUG:42864-78-8 "CAS Registry Number" xref: ChemIDplus:42864-78-8 "CAS Registry Number" xref: CiteXplore:2878599 "PubMed citation" xref: Beilstein:5195067 "Beilstein Registry Number" is_a: CHEBI:36807 relationship: has_part CHEBI:238698 relationship: has_role CHEBI:38215 relationship: has_role CHEBI:35530 relationship: has_role CHEBI:35674 relationship: has_role CHEBI:38070 [Term] id: CHEBI:59186 name: (R)-bevantolol hydrochloride def: "The hydrochloride salt of (R)-bevantolol." [] synonym: "(2R)-1-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-3-(3-methylphenoxy)propan-2-ol hydrochloride" EXACT IUPAC_NAME [IUPAC:] synonym: "(2R)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-hydroxy-3-(3-methylphenoxy)propan-1-aminium chloride" RELATED [IUPAC:] synonym: "(R)-bevantolol HCl" RELATED [ChEBI:] synonym: "C20H28ClNO4" RELATED FORMULA [ChEBI:] synonym: "[Cl-].COc1ccc(CC[NH2+]C[C@@H](O)COc2cccc(C)c2)cc1OC" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C20H27NO4.ClH/c1-15-5-4-6-18(11-15)25-14-17(22)13-21-10-9-16-7-8-19(23-2)20(12-16)24-3;/h4-8,11-12,17,21-22H,9-10,13-14H2,1-3H3;1H/t17-;/m1./s1" RELATED InChI [ChEBI:] synonym: "InChIKey=FJTKCFSPYUMXJB-UNTBIKODSA-N" RELATED InChIKey [ChEBI:] is_a: CHEBI:31282 relationship: is_enantiomer_of CHEBI:59187 [Term] id: CHEBI:59187 name: (S)-bevantolol hydrochloride def: "The hydrochloride salt of (S)-bevantolol." [] synonym: "(2S)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-hydroxy-3-(3-methylphenoxy)propan-1-aminium chloride" RELATED [IUPAC:] synonym: "(S)-bevantolol HCl" RELATED [ChEBI:] synonym: "(2S)-1-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-3-(3-methylphenoxy)propan-2-ol hydrochloride" EXACT IUPAC_NAME [IUPAC:] synonym: "C20H28ClNO4" RELATED FORMULA [ChEBI:] synonym: "[Cl-].COc1ccc(CC[NH2+]C[C@H](O)COc2cccc(C)c2)cc1OC" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C20H27NO4.ClH/c1-15-5-4-6-18(11-15)25-14-17(22)13-21-10-9-16-7-8-19(23-2)20(12-16)24-3;/h4-8,11-12,17,21-22H,9-10,13-14H2,1-3H3;1H/t17-;/m0./s1" RELATED InChI [ChEBI:] synonym: "InChIKey=FJTKCFSPYUMXJB-LMOVPXPDSA-N" RELATED InChIKey [ChEBI:] is_a: CHEBI:31282 relationship: is_enantiomer_of CHEBI:59186 [Term] id: CHEBI:59171 name: biperiden hydrochloride def: "The hydrochloride salt of biperiden. A muscarinic antagonist affecting both the central and peripheral nervous systems, it is used in the treatment of all forms of Parkinson's disease." [] synonym: "1-bicycloheptenyl-1-phenyl-3-piperidinopropanol-1 hydrochloride" RELATED [ChemIDplus:] synonym: "1-(bicyclo[2.2.1]hept-5-en-2-yl)-1-phenyl-3-(piperidin-1-yl)propan-1-ol hydrochloride" EXACT IUPAC_NAME [IUPAC:] synonym: "biperiden HCl" RELATED [ChemIDplus:] synonym: "1-[3-(bicyclo[2.2.1]hept-5-en-2-yl)-3-hydroxy-3-phenylpropyl]piperidinium chloride" RELATED [IUPAC:] synonym: "1-[3-(bicyclo[2.2.1]hept-5-en-2-yl)-3-hydroxy-3-phenylpropyl]piperidine hydrochloride" RELATED [ChEBI:] synonym: "C21H30ClNO" RELATED FORMULA [ChEBI:] synonym: "[Cl-].OC(CC[NH+]1CCCCC1)(C1CC2CC1C=C2)c1ccccc1" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C21H29NO.ClH/c23-21(19-7-3-1-4-8-19,11-14-22-12-5-2-6-13-22)20-16-17-9-10-18(20)15-17;/h1,3-4,7-10,17-18,20,23H,2,5-6,11-16H2;1H" RELATED InChI [ChEBI:] synonym: "InChIKey=RDNLAULGBSQZMP-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: ChemIDplus:1235-82-1 "CAS Registry Number" xref: DrugBank:DB00810 "DrugBank" xref: Beilstein:8366991 "Beilstein Registry Number" is_a: CHEBI:36807 is_a: CHEBI:26151 is_a: CHEBI:26878 relationship: has_role CHEBI:48876 relationship: has_role CHEBI:50370 relationship: has_role CHEBI:48407 relationship: has_part CHEBI:3112 [Term] id: CHEBI:59178 name: bromazine hydrochloride def: "The hydrochloride salt of bromazine. An antihistamine with antimicrobial properties, it is used in the control of cutaneous allergies." [] synonym: "2-[(4-bromophenyl)(phenyl)methoxy]-N,N-dimethylethanaminium chloride" RELATED [IUPAC:] synonym: "bromazine HCl" RELATED [ChEBI:] synonym: "2-[(4-bromophenyl)(phenyl)methoxy]-N,N-dimethylethanamine hydrochloride" EXACT IUPAC_NAME [IUPAC:] synonym: "bromodiphenhydramine HCl" RELATED [ChemIDplus:] synonym: "2-[(4-bromophenyl)(phenyl)methoxy]-N,N-dimethylethanamine hydrochloride (1:1)" RELATED [IUPAC:] synonym: "bromodiphenhydramine hydrochloride" RELATED [ChemIDplus:] synonym: "2-(p-bromo-alpha-phenylbenzyloxy)-N,N-dimethylethylamine hydrochloride" RELATED [ChEBI:] synonym: "beta-(p-bromobenzhydryloxy)ethyldimethylamine hydrochloride" RELATED [ChEBI:] synonym: "C17H21BrClNO" RELATED FORMULA [ChEBI:] synonym: "[Cl-].C[NH+](C)CCOC(c1ccccc1)c1ccc(Br)cc1" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C17H20BrNO.ClH/c1-19(2)12-13-20-17(14-6-4-3-5-7-14)15-8-10-16(18)11-9-15;/h3-11,17H,12-13H2,1-2H3;1H" RELATED InChI [ChEBI:] synonym: "InChIKey=ZQDJSWUEGOYDGT-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: Beilstein:3754363 "Beilstein Registry Number" xref: NIST Chemistry WebBook:1808-12-4 "CAS Registry Number" xref: KEGG DRUG:D03166 "KEGG DRUG" xref: ChemIDplus:1808-12-4 "CAS Registry Number" xref: DrugBank:DB01237 "DrugBank" is_a: CHEBI:36807 relationship: has_role CHEBI:37956 relationship: has_role CHEBI:33281 is_a: CHEBI:37141 relationship: has_role CHEBI:48876 relationship: has_role CHEBI:37955 [Term] id: CHEBI:59177 name: bromazine def: "The 4-bromobenzhydryl ether of 2-(dimethylamino)ethanol. An antihistamine with antimicrobial properties, it is used in the control of cutaneous allergies." [] synonym: "2-[(4-bromophenyl)(phenyl)methoxy]-N,N-dimethylethanamine" EXACT IUPAC_NAME [IUPAC:] synonym: "bromazine" RELATED INN [ChemIDplus:] synonym: "bromazina" RELATED INN [ChemIDplus:] synonym: "beta-dimethylaminoethyl p-bromobenzhydryl ether" RELATED [ChEBI:] synonym: "bromazine" RELATED INN [WHO MedNet:] synonym: "bromodiphenhydramine" RELATED [ChemIDplus:] synonym: "2-(p-bromo-alpha-phenylbenzyloxy)-N,N-dimethylethylamine" RELATED [ChEBI:] synonym: "beta-(p-bromobenzhydryloxy)ethyldimethylamine" RELATED [NIST Chemistry WebBook:] synonym: "bromazinum" RELATED INN [ChemIDplus:] synonym: "C17H20BrNO" RELATED FORMULA [ChEBI:] synonym: "CN(C)CCOC(c1ccccc1)c1ccc(Br)cc1" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C17H20BrNO/c1-19(2)12-13-20-17(14-6-4-3-5-7-14)15-8-10-16(18)11-9-15/h3-11,17H,12-13H2,1-2H3" RELATED InChI [ChEBI:] synonym: "InChIKey=NUNIWXHYABYXKF-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: ChemIDplus:118-23-0 "CAS Registry Number" xref: NIST Chemistry WebBook:118-23-0 "CAS Registry Number" xref: Reaxys:2057153 "Reaxys Registry Number" xref: Beilstein:2057153 "Beilstein Registry Number" xref: Patent:US2527963 "Patent" xref: Wikipedia:Bromazine "Wikipedia" xref: DrugBank:DB01237 "DrugBank" is_a: CHEBI:50996 is_a: CHEBI:37141 relationship: has_role CHEBI:33281 relationship: has_role CHEBI:48876 relationship: has_role CHEBI:37955 relationship: has_part CHEBI:59178 [Term] id: CHEBI:59301 name: (R)-bromazine def: "The (R)-enantiomer of bromazine." [] synonym: "(R)-beta-(p-bromobenzhydryloxy)ethyldimethylamine" RELATED [ChEBI:] synonym: "(R)-beta-dimethylaminoethyl p-bromobenzhydryl ether" RELATED [ChEBI:] synonym: "(R)-2-(p-bromo-alpha-phenylbenzyloxy)-N,N-dimethylethylamine" RELATED [ChEBI:] synonym: "(R)-bromodiphenhydramine" RELATED [ChEBI:] synonym: "2-[(R)-(4-bromophenyl)(phenyl)methoxy]-N,N-dimethylethanamine" EXACT IUPAC_NAME [IUPAC:] synonym: "C17H20BrNO" RELATED FORMULA [ChEBI:] synonym: "CN(C)CCO[C@H](c1ccccc1)c1ccc(Br)cc1" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C17H20BrNO/c1-19(2)12-13-20-17(14-6-4-3-5-7-14)15-8-10-16(18)11-9-15/h3-11,17H,12-13H2,1-2H3/t17-/m1/s1" RELATED InChI [ChEBI:] synonym: "InChIKey=NUNIWXHYABYXKF-QGZVFWFLSA-N" RELATED InChIKey [ChEBI:] is_a: CHEBI:59177 relationship: is_enantiomer_of CHEBI:59302 [Term] id: CHEBI:59302 name: (S)-bromazine def: "The (S)-enantiomer of bromazine." [] synonym: "2-[(S)-(4-bromophenyl)(phenyl)methoxy]-N,N-dimethylethanamine" EXACT IUPAC_NAME [IUPAC:] synonym: "(S)-beta-(p-bromobenzhydryloxy)ethyldimethylamine" RELATED [ChEBI:] synonym: "(S)-bromodiphenhydramine" RELATED [ChEBI:] synonym: "(S)-2-(p-bromo-alpha-phenylbenzyloxy)-N,N-dimethylethylamine" RELATED [ChEBI:] synonym: "(S)-beta-dimethylaminoethyl p-bromobenzhydryl ether" RELATED [ChEBI:] synonym: "C17H20BrNO" RELATED FORMULA [ChEBI:] synonym: "CN(C)CCO[C@@H](c1ccccc1)c1ccc(Br)cc1" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C17H20BrNO/c1-19(2)12-13-20-17(14-6-4-3-5-7-14)15-8-10-16(18)11-9-15/h3-11,17H,12-13H2,1-2H3/t17-/m0/s1" RELATED InChI [ChEBI:] synonym: "InChIKey=NUNIWXHYABYXKF-KRWDZBQOSA-N" RELATED InChIKey [ChEBI:] is_a: CHEBI:59177 relationship: is_enantiomer_of CHEBI:59301 [Term] id: CHEBI:59304 name: (R)-bromazine hydrochloride def: "The hydrochloride salt of (R)-bromazine." [] synonym: "(R)-beta-(p-bromobenzhydryloxy)ethyldimethylamine hydrochloride" RELATED [ChEBI:] synonym: "(R)-bromazine HCl" RELATED [ChEBI:] synonym: "(R)-bromodiphenhydramine HCl" RELATED [ChEBI:] synonym: "2-[(R)-(4-bromophenyl)(phenyl)methoxy]-N,N-dimethylethanamine hydrochloride" EXACT IUPAC_NAME [IUPAC:] synonym: "2-[(R)-(4-bromophenyl)(phenyl)methoxy]-N,N-dimethylethanaminium chloride" RELATED [IUPAC:] synonym: "(R)-bromodiphenhydramine hydrochloride" RELATED [ChEBI:] synonym: "C17H21BrClNO" RELATED FORMULA [ChEBI:] synonym: "[Cl-].C[NH+](C)CCO[C@H](c1ccccc1)c1ccc(Br)cc1" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C17H20BrNO.ClH/c1-19(2)12-13-20-17(14-6-4-3-5-7-14)15-8-10-16(18)11-9-15;/h3-11,17H,12-13H2,1-2H3;1H/t17-;/m1./s1" RELATED InChI [ChEBI:] synonym: "InChIKey=ZQDJSWUEGOYDGT-UNTBIKODSA-N" RELATED InChIKey [ChEBI:] xref: DrugBank:DB01237 "DrugBank" is_a: CHEBI:59178 relationship: is_enantiomer_of CHEBI:59305 [Term] id: CHEBI:59305 name: (S)-bromazine hydrochloride def: "The hydrochloride salt of (S)-bromazine." [] synonym: "2-[(S)-(4-bromophenyl)(phenyl)methoxy]-N,N-dimethylethanamine hydrochloride" EXACT IUPAC_NAME [IUPAC:] synonym: "2-[(S)-(4-bromophenyl)(phenyl)methoxy]-N,N-dimethylethanaminium chloride" RELATED [IUPAC:] synonym: "(S)-bromodiphenhydramine HCl" RELATED [ChEBI:] synonym: "(S)-bromodiphenhydramine hydrochloride" RELATED [ChEBI:] synonym: "(S)-beta-(p-bromobenzhydryloxy)ethyldimethylamine hydrochloride" RELATED [ChEBI:] synonym: "(S)-bromazine HCl" RELATED [ChEBI:] synonym: "C17H21BrClNO" RELATED FORMULA [ChEBI:] synonym: "[Cl-].C[NH+](C)CCO[C@@H](c1ccccc1)c1ccc(Br)cc1" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C17H20BrNO.ClH/c1-19(2)12-13-20-17(14-6-4-3-5-7-14)15-8-10-16(18)11-9-15;/h3-11,17H,12-13H2,1-2H3;1H/t17-;/m0./s1" RELATED InChI [ChEBI:] synonym: "InChIKey=ZQDJSWUEGOYDGT-LMOVPXPDSA-N" RELATED InChIKey [ChEBI:] xref: DrugBank:DB01237 "DrugBank" is_a: CHEBI:59178 relationship: is_enantiomer_of CHEBI:59304 [Term] id: CHEBI:31374 name: cefotiam dihydrochloride def: "The dihydrochloride salt of cefotiam." [] synonym: "7beta-(2-amino-1,3-thiazol-4-yl)acetamido-3-[({1-[2-(dimethylamino)ethyl]-1H-tetrazol-5-yl}sulfanyl)methyl]-3,4-didehydrocepham-4-carboxylic acid dihydrochloride" EXACT IUPAC_NAME [IUPAC:] synonym: "7(R)-(2-(2-amino-4-thiazolyl)acetamido)-3-(((1-(2-(dimethylamino)ethyl)-1H-tetrazol-5-yl)thio)methyl)-3-cephem-4-carboxylic acid dihydrochloride" RELATED [ChemIDplus:] synonym: "(6R,7R)-7-{[(2-amino-1,3-thiazol-4-yl)acetyl]amino}-3-[({1-[2-(dimethylamino)ethyl]-1H-tetrazol-5-yl}sulfanyl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid dihydrochloride" EXACT IUPAC_NAME [IUPAC:] synonym: "cefotiam hydrochloride" RELATED [KEGG DRUG:] synonym: "C18H25Cl2N9O4S3" RELATED FORMULA [ChEBI:] synonym: "Cl.Cl.[H][C@]12SCC(CSc3nnnn3CCN(C)C)=C(N1C(=O)[C@@]2([H])NC(=O)Cc1csc(N)n1)C(O)=O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C18H23N9O4S3.2ClH/c1-25(2)3-4-26-18(22-23-24-26)34-7-9-6-32-15-12(14(29)27(15)13(9)16(30)31)21-11(28)5-10-8-33-17(19)20-10;;/h8,12,15H,3-7H2,1-2H3,(H2,19,20)(H,21,28)(H,30,31);2*1H/t12-,15-;;/m1../s1" RELATED InChI [ChEBI:] synonym: "InChIKey=BWRRTAXZCKVRON-DGPOFWGLSA-N" RELATED InChIKey [ChEBI:] xref: ChemIDplus:66309-69-1 "CAS Registry Number" xref: KEGG DRUG:D01819 "KEGG DRUG" xref: Patent:DE2738711 "Patent" xref: Patent:US4146710 "Patent" xref: DrugBank:DB00229 "DrugBank" is_a: CHEBI:36807 relationship: has_part CHEBI:355510 relationship: has_role CHEBI:36047 [Term] id: CHEBI:31373 name: cefotiam hexetil dihydrochloride def: "The dihydrochloride salt of cefotiam 1-(cyclohexyloxycarbonyloxy)ethyl ester. It is used as a prodrug for cefotiam." [] synonym: "cefotiam 1-(cyclohexyloxycarbonyloxy)ethyl ester dihydrochloride" RELATED [ChEBI:] synonym: "cefotiam hexetil hydrochloride" RELATED [KEGG DRUG:] synonym: "1-{[(cyclohexyloxy)carbonyl]oxy}ethyl 7beta-(2-amino-1,3-thiazol-4-yl)acetamido-3-[({1-[2-(dimethylamino)ethyl]-1H-tetrazol-5-yl}sulfanyl)methyl]-3,4-didehydrocepham-4-carboxylate dihydrochloride" EXACT IUPAC_NAME [IUPAC:] synonym: "1-{[(cyclohexyloxy)carbonyl]oxy}ethyl (6R,7R)-7-{[(2-amino-1,3-thiazol-4-yl)acetyl]amino}-3-[({1-[2-(dimethylamino)ethyl]-1H-tetrazol-5-yl}sulfanyl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate dihydrochloride" EXACT IUPAC_NAME [IUPAC:] synonym: "cefotiam hexetil HCl" RELATED [ChemIDplus:] synonym: "C27H39Cl2N9O7S3" RELATED FORMULA [ChEBI:] synonym: "Cl.Cl.[H][C@@]1(NC(=O)Cc2csc(N)n2)C(=O)N2C(C(=O)OC(C)OC(=O)OC3CCCCC3)=C(CSc3nnnn3CCN(C)C)CS[C@]12[H]" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C27H37N9O7S3.2ClH/c1-15(42-27(40)43-18-7-5-4-6-8-18)41-24(39)21-16(13-46-26-31-32-33-35(26)10-9-34(2)3)12-44-23-20(22(38)36(21)23)30-19(37)11-17-14-45-25(28)29-17;;/h14-15,18,20,23H,4-13H2,1-3H3,(H2,28,29)(H,30,37);2*1H/t15?,20-,23-;;/m1../s1" RELATED InChI [ChEBI:] synonym: "InChIKey=FFSANQNELHESQJ-LWBICVDYSA-N" RELATED InChIKey [ChEBI:] xref: KEGG DRUG:D01415 "KEGG DRUG" xref: ChemIDplus:95789-30-3 "CAS Registry Number" xref: KEGG DRUG:95789-30-3 "CAS Registry Number" is_a: CHEBI:36807 relationship: has_functional_parent CHEBI:355510 relationship: has_role CHEBI:36047 relationship: has_part CHEBI:59211 relationship: has_role CHEBI:50266 [Term] id: CHEBI:643228 name: betaxolol hydrochloride alt_id: CHEBI:3083 alt_id: CHEBI:101332 def: "The hydrochloride salt of betaxolol." [] synonym: "3-{4-[2-(cyclopropylmethoxy)ethyl]phenoxy}-2-hydroxy-N-(propan-2-yl)propan-1-aminium chloride" RELATED [IUPAC:] synonym: "Betaxolol hydrochloride" EXACT [ChEMBL:] synonym: "1-(p-(2-(cyclopropylmethoxy)ethyl)phenoxy)-3-(isopropylamino)-2-propanol hydrochloride" RELATED [ChemIDplus:] synonym: "1-(isopropylamino)-3-[p-(cyclopropylmethoxyethyl)phenoxy]-2-propanol hydrochloride" RELATED [ChEBI:] synonym: "1-{4-[2-(cyclopropylmethoxy)ethyl]phenoxy}-3-(propan-2-ylamino)propan-2-ol hydrochloride" EXACT IUPAC_NAME [IUPAC:] synonym: "betaxolol HCl" RELATED [ChemIDplus:] synonym: "1-[4-(2-Cyclopropylmethoxy-ethyl)-phenoxy]-3-isopropylamino-propan-2-ol; hydrochloride" RELATED [ChEMBL:] synonym: "C18H30ClNO3" RELATED FORMULA [ChEBI:] synonym: "[Cl-].CC(C)[NH2+]CC(O)COc1ccc(CCOCC2CC2)cc1" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C18H29NO3.ClH/c1-14(2)19-11-17(20)13-22-18-7-5-15(6-8-18)9-10-21-12-16-3-4-16;/h5-8,14,16-17,19-20H,3-4,9-13H2,1-2H3;1H" RELATED InChI [ChEBI:] synonym: "InChIKey=CHDPSNLJFOQTRK-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: DrugBank:DB00195 "DrugBank" xref: ChemIDplus:63659-19-8 "CAS Registry Number" xref: Beilstein:5182512 "Beilstein Registry Number" xref: KEGG DRUG:D00598 "KEGG DRUG" is_a: CHEBI:36807 relationship: has_part CHEBI:3082 relationship: has_role CHEBI:35530 relationship: has_role CHEBI:35674 [Term] id: CHEBI:59256 name: (S)-betaxolol hydrochloride def: "The hydrochloride salt of (S)-betaxolol." [] synonym: "(2S)-1-{4-[2-(cyclopropylmethoxy)ethyl]phenoxy}-3-(propan-2-ylamino)propan-2-ol hydrochloride" EXACT IUPAC_NAME [IUPAC:] synonym: "(2S)-3-{4-[2-(cyclopropylmethoxy)ethyl]phenoxy}-2-hydroxy-N-(propan-2-yl)propan-1-aminium chloride" RELATED [IUPAC:] synonym: "(S)-betaxolol HCl" RELATED [ChEBI:] synonym: "C18H30ClNO3" RELATED FORMULA [ChEBI:] synonym: "[Cl-].CC(C)[NH2+]C[C@H](O)COc1ccc(CCOCC2CC2)cc1" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C18H29NO3.ClH/c1-14(2)19-11-17(20)13-22-18-7-5-15(6-8-18)9-10-21-12-16-3-4-16;/h5-8,14,16-17,19-20H,3-4,9-13H2,1-2H3;1H/t17-;/m0./s1" RELATED InChI [ChEBI:] synonym: "InChIKey=CHDPSNLJFOQTRK-LMOVPXPDSA-N" RELATED InChIKey [ChEBI:] xref: DrugBank:DB00195 "DrugBank" xref: Beilstein:1021568 "Beilstein Registry Number" is_a: CHEBI:643228 relationship: is_enantiomer_of CHEBI:59255 [Term] id: CHEBI:59255 name: (R)-betaxolol hydrochloride def: "The hydrochloride salt of (R)-betaxolol." [] synonym: "(2R)-1-{4-[2-(cyclopropylmethoxy)ethyl]phenoxy}-3-(propan-2-ylamino)propan-2-ol hydrochloride" EXACT IUPAC_NAME [IUPAC:] synonym: "(2R)-3-{4-[2-(cyclopropylmethoxy)ethyl]phenoxy}-2-hydroxy-N-(propan-2-yl)propan-1-aminium chloride" RELATED [IUPAC:] synonym: "(R)-betaxolol HCl" RELATED [ChEBI:] synonym: "C18H30ClNO3" RELATED FORMULA [ChEBI:] synonym: "[Cl-].CC(C)[NH2+]C[C@@H](O)COc1ccc(CCOCC2CC2)cc1" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C18H29NO3.ClH/c1-14(2)19-11-17(20)13-22-18-7-5-15(6-8-18)9-10-21-12-16-3-4-16;/h5-8,14,16-17,19-20H,3-4,9-13H2,1-2H3;1H/t17-;/m1./s1" RELATED InChI [ChEBI:] synonym: "InChIKey=CHDPSNLJFOQTRK-UNTBIKODSA-N" RELATED InChIKey [ChEBI:] xref: DrugBank:DB00195 "DrugBank" is_a: CHEBI:643228 relationship: is_enantiomer_of CHEBI:59256 [Term] id: CHEBI:652822 name: buprenorphine hydrochlorie alt_id: CHEBI:3217 alt_id: CHEBI:396026 def: "The hydrochloride salt of buprenorphine." [] synonym: "buprenorphine HCl" RELATED [ChEBI:] synonym: "21-cyclopropyl-7alpha-[(S)-1-hydroxy-1,2,2-trimethylpropyl]-6,14-endo-ethano-6,7,8,14-tetrahydrooripavine hydrochloride" RELATED [ChemIDplus:] synonym: "2-(N-cyclopropylmethyl-4,5alpha-epoxy-3-hydroxy-6-methoxy-6,14-endo-ethanomorphinan-6alpha-yl)-3,3-dimethyl-2-butanol hydrochloride" RELATED [ChEBI:] synonym: "(5alpha,6beta,14beta,18R)-17-(cyclopropylmethyl)-3-hydroxy-18-[(2S)-2-hydroxy-3,3-dimethylbutan-2-yl]-6-methoxy-18,19-dihydro-4,5-epoxy-6,14-ethenomorphinan-17-ium chloride" RELATED [IUPAC:] synonym: "(5alpha,6beta,14beta,18R)-17-(cyclopropylmethyl)-18-[(2S)-2-hydroxy-3,3-dimethylbutan-2-yl]-6-methoxy-18,19-dihydro-4,5-epoxy-6,14-ethenomorphinan-3-ol hydrochloride" EXACT IUPAC_NAME [IUPAC:] synonym: "17-cyclopropylmethyl-4,5alpha-epoxy-7alpha-((S)-1-hydroxy-1,2,2-trimethylpropyl)-6-methoxy-6,14-endo-ethanomorphinan-3-ol hydrochloride" RELATED [ChEBI:] synonym: "(-)-buprenorphine hydrochloride" RELATED [ChEBI:] synonym: "Buprenorphine hydrochloride" RELATED [ChEMBL:] synonym: "C29H42ClNO4" RELATED FORMULA [ChEBI:] synonym: "[Cl-].[H][C@@]1(C[C@]23CC[C@]1(OC)[C@@H]1Oc4c(O)ccc5C[C@H]2[NH+](CC[C@@]31c45)CC1CC1)[C@](C)(O)C(C)(C)C" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C29H41NO4.ClH/c1-25(2,3)26(4,32)20-15-27-10-11-29(20,33-5)24-28(27)12-13-30(16-17-6-7-17)21(27)14-18-8-9-19(31)23(34-24)22(18)28;/h8-9,17,20-21,24,31-32H,6-7,10-16H2,1-5H3;1H/t20-,21-,24-,26+,27-,28+,29-;/m1./s1" RELATED InChI [ChEBI:] synonym: "InChIKey=UAIXRPCCYXNJMQ-RZIPZOSSSA-N" RELATED InChIKey [ChEBI:] xref: KEGG DRUG:D00836 "KEGG DRUG" xref: Beilstein:6362066 "Beilstein Registry Number" xref: DrugBank:DB00921 "DrugBank" xref: ChemIDplus:53152-21-9 "CAS Registry Number" xref: ChEMBL:11585443 "PubMed citation" is_a: CHEBI:36807 relationship: has_part CHEBI:3216 relationship: has_role CHEBI:35482 relationship: has_role CHEBI:55322 relationship: has_role CHEBI:59282 relationship: has_role CHEBI:59283 [Term] id: CHEBI:31325 name: butenafine hydrochloride def: "The hydrochloride salt of butenafine. An inhibitor of squalene epoxidase, an enzyme responsible for the creation of sterols needed in fungal cell membranes, it is used for treatment of dermatological fungal infections." [] synonym: "N-(p-tert-butylbenzyl)-N-methyl-1-naphthalenemethylamine hydrochloride" RELATED [ChemIDplus:] synonym: "4-tert-butylbenzyl(methyl)(1-naphthalenemethyl)amine hydrochloride" RELATED [ChEBI:] synonym: "1-(4-tert-butylphenyl)-N-methyl-N-(naphthalen-1-ylmethyl)methanamine hydrochloride" EXACT IUPAC_NAME [IUPAC:] synonym: "(4-tert-butylphenyl)-N-methyl-N-(naphthalen-1-ylmethyl)methanaminium chloride" RELATED [IUPAC:] synonym: "Butenafine hydrochloride" EXACT [KEGG COMPOUND:] synonym: "butenafine HCl" RELATED [ChemIDplus:] synonym: "C23H28ClN" RELATED FORMULA [ChEBI:] synonym: "[Cl-].C[NH+](Cc1ccc(cc1)C(C)(C)C)Cc1cccc2ccccc12" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C23H27N.ClH/c1-23(2,3)21-14-12-18(13-15-21)16-24(4)17-20-10-7-9-19-8-5-6-11-22(19)20;/h5-15H,16-17H2,1-4H3;1H" RELATED InChI [ChEBI:] synonym: "InChIKey=LJBSAUIFGPSHCN-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: ChemIDplus:101827-46-7 "CAS Registry Number" xref: KEGG COMPOUND:101827-46-7 "CAS Registry Number" xref: KEGG COMPOUND:C12490 "KEGG COMPOUND" xref: DrugBank:DB01091 "DrugBank" xref: KEGG DRUG:D01093 "KEGG DRUG" is_a: CHEBI:36807 relationship: has_part CHEBI:3238 is_a: CHEBI:47704 relationship: has_role CHEBI:59285 relationship: has_role CHEBI:35718 [Term] id: CHEBI:59337 name: methylamine hydrochloride def: "The hydrochloride formed from methylamine." [] synonym: "N-Methylammonium chloride" RELATED [ChemIDplus:] synonym: "Methanamine, hydrochloride (1:1)" RELATED [ChemIDplus:] synonym: "Methylammonium chloride" RELATED [ChemIDplus:] synonym: "methanaminium chloride" EXACT IUPAC_NAME [IUPAC:] synonym: "Monomethylammonium chloride" RELATED [ChemIDplus:] synonym: "Monomethylamine hydrochloride" RELATED [ChemIDplus:] synonym: "CH6ClN" RELATED FORMULA [ChEBI:] synonym: "[Cl-].C[NH3+]" RELATED SMILES [ChEBI:] synonym: "InChI=1S/CH5N.ClH/c1-2;/h2H2,1H3;1H" RELATED InChI [ChEBI:] synonym: "InChIKey=NQMRYBIKMRVZLB-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: ChemIDplus:593-51-1 "CAS Registry Number" xref: NIST Chemistry WebBook:593-51-1 "CAS Registry Number" is_a: CHEBI:36807 is_a: CHEBI:46850 relationship: has_part CHEBI:59338 is_a: CHEBI:64708 [Term] id: CHEBI:31368 name: cefepime hydrochloride def: "A hydrochloride that is the monohydrate of the dihydrochloride salt of cefepime." [] synonym: "Cefepime hydrochloride" EXACT [KEGG COMPOUND:] synonym: "cefepime hydrochloride hydrate" RELATED [ChEBI:] synonym: "cefepime dihydrochloride monohydrate" RELATED [ChEBI:] synonym: "1-{[(6R,7R)-7-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl}-1-methylpyrrolidinium chloride hydrochloride--water (1/1)" EXACT IUPAC_NAME [IUPAC:] synonym: "1-(((6R,7R)-7-(2-(2-amino-4-thiazolyl)glyoxylamido)-2-carboxy-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-en-3- yl)methyl)-1-methylpyrrolidinium chloride, 7(2)-(Z)-(O-methyloxime) monohydrochloride monohydrate" RELATED [ChemIDplus:] synonym: "Cefepime dihydrochloride" RELATED [KEGG COMPOUND:] synonym: "cefepime HCl" RELATED [ChemIDplus:] synonym: "7beta-[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetamido]-3-[(1-methylpyrrolidinium-1-yl)methyl]-3,4-didehydrocepham-4-carboxylic acid chloride hydrochloride--water (1/1)" EXACT IUPAC_NAME [IUPAC:] synonym: "C19H28Cl2N6O6S2" RELATED FORMULA [ChEBI:] synonym: "O.Cl.[Cl-].[H][C@]12SCC(C[N+]3(C)CCCC3)=C(N1C(=O)[C@H]2NC(=O)C(=N/OC)\\c1csc(N)n1)C(O)=O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C19H24N6O5S2.2ClH.H2O/c1-25(5-3-4-6-25)7-10-8-31-17-13(16(27)24(17)14(10)18(28)29)22-15(26)12(23-30-2)11-9-32-19(20)21-11;;;/h9,13,17H,3-8H2,1-2H3,(H3-,20,21,22,26,28,29);2*1H;1H2/b23-12-;;;/t13-,17-;;;/m1.../s1" RELATED InChI [ChEBI:] synonym: "InChIKey=LRAJHPGSGBRUJN-OMIVUECESA-N" RELATED InChIKey [ChEBI:] xref: KEGG COMPOUND:123171-59-5 "CAS Registry Number" xref: ChemIDplus:123171-59-5 "CAS Registry Number" xref: KEGG COMPOUND:C12557 "KEGG COMPOUND" xref: KEGG DRUG:D01157 "KEGG DRUG" is_a: CHEBI:36807 is_a: CHEBI:35505 is_a: CHEBI:23066 relationship: has_role CHEBI:36047 relationship: has_part CHEBI:59349 [Term] id: CHEBI:3637 name: chloroprocaine hydrochloride alt_id: CHEBI:189357 def: "The monohydrochloride salt of chloroprocaine. Used as a local anaesthetic, particularly for oral surgery, it has the advantage over lidocaine of constricting blood vessels, so reducing bleeding." [] synonym: "2-(diethylamino)ethyl 4-amino-2-chlorobenzoate monohydrochloride" RELATED [ChemIDplus:] synonym: "chloroprocaine HCl" RELATED [ChemIDplus:] synonym: "2-(diethylamino)ethyl 4-amino-2-chlorobenzoate hydrochloride" EXACT IUPAC_NAME [IUPAC:] synonym: "4-amino-2-chlorobenzoic acid 2-(diethylamino)ethyl ester hydrochloride" RELATED [ChemIDplus:] synonym: "[2-(4-Amino-2-chloro-benzoyloxy)-ethyl]-diethyl-ammonium; chloride" RELATED [ChEMBL:] synonym: "C13H20Cl2N2O2" RELATED FORMULA [ChEBI:] synonym: "Cl.CCN(CC)CCOC(=O)c1ccc(N)cc1Cl" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C13H19ClN2O2.ClH/c1-3-16(4-2)7-8-18-13(17)11-6-5-10(15)9-12(11)14;/h5-6,9H,3-4,7-8,15H2,1-2H3;1H" RELATED InChI [ChEBI:] synonym: "InChIKey=SZKQYDBPUCZLRX-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: Beilstein:3918412 "Beilstein Registry Number" xref: KEGG DRUG:3858-89-7 "CAS Registry Number" xref: ChemIDplus:3858-89-7 "CAS Registry Number" xref: DrugBank:DB01161 "DrugBank" xref: KEGG DRUG:D00732 "KEGG DRUG" xref: ChEMBL:7359532 "PubMed citation" is_a: CHEBI:36807 relationship: has_part CHEBI:3636 relationship: has_role CHEBI:36333 relationship: has_role CHEBI:49110 relationship: has_role CHEBI:35488 [Term] id: CHEBI:32120 name: sapropterin dihydrochloride def: "The dihydrochloride salt of sapropterin. It is used for the diagnosis and treatment of variant forms of phenylketonuria (hyperphenylalaninaemia) associated with tetrahydrobiopterin deficiency. Natural cofactor for phenylalanine hydroxylase, tyrosine hydroxylase, tryptophan hydroxylase, and nitric oxide synthetase." [] synonym: "sapropterin dihydrochloride" EXACT [KEGG DRUG:] synonym: "(6R)-tetrahydrobiopterin hydrochloride" RELATED [ChemIDplus:] synonym: "sapropterin 2HCl" RELATED [ChEBI:] synonym: "(6R)-tetrahydrobiopterin dihydrochloride" RELATED [ChEBI:] synonym: "sapropterin hydrochloride" RELATED [KEGG DRUG:] synonym: "(6R)-2-amino-6-[(1R,2S)-1,2-dihydroxypropyl]-5,6,7,8-tetrahydropteridin-4(3H)-one dihydrochloride" EXACT IUPAC_NAME [IUPAC:] synonym: "C9H17Cl2N5O3" RELATED FORMULA [ChEBI:] synonym: "Cl.Cl.[H][C@@]1(CNc2nc(N)[nH]c(=O)c2N1)[C@@H](O)[C@H](C)O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C9H15N5O3.2ClH/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7;;/h3-4,6,12,15-16H,2H2,1H3,(H4,10,11,13,14,17);2*1H/t3-,4+,6-;;/m0../s1" RELATED InChI [ChEBI:] synonym: "InChIKey=RKSUYBCOVNCALL-NTVURLEBSA-N" RELATED InChIKey [ChEBI:] xref: CiteXplore:20830319 "PubMed citation" xref: ChemIDplus:69056-38-8 "CAS Registry Number" xref: CiteXplore:20714359 "PubMed citation" xref: CiteXplore:21967857 "PubMed citation" xref: CiteXplore:20556789 "PubMed citation" xref: CiteXplore:20206791 "PubMed citation" xref: CiteXplore:21077779 "PubMed citation" xref: CiteXplore:22310224 "PubMed citation" xref: CiteXplore:22112818 "PubMed citation" xref: CiteXplore:21646032 "PubMed citation" xref: CiteXplore:20179079 "PubMed citation" xref: KEGG DRUG:D01798 "KEGG DRUG" xref: CiteXplore:21645517 "PubMed citation" xref: Beilstein:4613446 "Beilstein Registry Number" xref: CiteXplore:20418136 "PubMed citation" xref: CiteXplore:20667834 "PubMed citation" xref: Reaxys:12490572 "Reaxys Registry Number" xref: KEGG DRUG:69056-38-8 "CAS Registry Number" is_a: CHEBI:36807 relationship: has_part CHEBI:59560 relationship: has_role CHEBI:33295 relationship: has_role CHEBI:23354 [Term] id: CHEBI:31410 name: clenbuterol hydrochloride def: "A hydrochloride that is the monohydrochloride salt of clenbuterol." [] synonym: "1-(4-amino-3,5-dichlorophenyl)-2-(tert-butylamino)ethanol hydrochloride" EXACT IUPAC_NAME [IUPAC:] synonym: "clenbuterol HCl" RELATED [ChemIDplus:] synonym: "4-amino-3,5-dichloro-alpha-(((1,1-dimethylethyl)amino)methyl)benzenemethanol hydrochloride" RELATED [ChEBI:] synonym: "clenbuterol clorhidrato" RELATED [ChemIDplus:] synonym: "4-amino-alpha-((tert-butylamino)methyl)-3,5-dichlorobenzyl alcohol hydrochloride" RELATED [ChemIDplus:] synonym: "(+-)-clenbuterol hydrochloride" RELATED [ChEBI:] synonym: "clenbuterol monohydrochloride" RELATED [ChEBI:] synonym: "4-amino-3,5-dichloro-alpha-(((1,1-dimethylethyl)amino)methyl)benzenemethanol monohydrochloride" RELATED [ChEBI:] synonym: "4-amino-alpha-((tert-butylamino)methyl)-3,5-dichlorobenzyl alcohol monohydrochloride" RELATED [ChEBI:] synonym: "(+-)-clenbuterol monohydrochloride" RELATED [ChEBI:] synonym: "C12H19Cl3N2O" RELATED FORMULA [ChEBI:] synonym: "Cl.CC(C)(C)NCC(O)c1cc(Cl)c(N)c(Cl)c1" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C12H18Cl2N2O.ClH/c1-12(2,3)16-6-10(17)7-4-8(13)11(15)9(14)5-7;/h4-5,10,16-17H,6,15H2,1-3H3;1H" RELATED InChI [ChEBI:] synonym: "InChIKey=OPXKTCUYRHXSBK-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: Beilstein:5780956 "Beilstein Registry Number" xref: KEGG DRUG:D01360 "KEGG DRUG" xref: KEGG DRUG:21898-19-1 "CAS Registry Number" is_a: CHEBI:36807 relationship: has_role CHEBI:35523 relationship: has_role CHEBI:35522 relationship: has_role CHEBI:35524 relationship: has_part CHEBI:61153 [Term] id: CHEBI:59570 name: (S)-clenbuterol hydrochloride def: "The monohydrochloride salt of (S)-clenbuterol." [] synonym: "(S)-(+)-clenbuterol hydrochloride" RELATED [ChEBI:] synonym: "(+)-clenbuterol hydrochloride" RELATED [ChEBI:] synonym: "(1S)-1-(4-amino-3,5-dichlorophenyl)-2-(tert-butylamino)ethanol hydrochloride" EXACT IUPAC_NAME [IUPAC:] synonym: "C12H19Cl3N2O" RELATED FORMULA [ChEBI:] synonym: "Cl.CC(C)(C)NC[C@@H](O)c1cc(Cl)c(N)c(Cl)c1" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C12H18Cl2N2O.ClH/c1-12(2,3)16-6-10(17)7-4-8(13)11(15)9(14)5-7;/h4-5,10,16-17H,6,15H2,1-3H3;1H/t10-;/m1./s1" RELATED InChI [ChEBI:] synonym: "InChIKey=OPXKTCUYRHXSBK-HNCPQSOCSA-N" RELATED InChIKey [ChEBI:] xref: Beilstein:9368055 "Beilstein Registry Number" is_a: CHEBI:31410 relationship: is_enantiomer_of CHEBI:59569 [Term] id: CHEBI:59569 name: (R)-clenbuterol hydrochloride def: "The monohydrochoride salt of (R)-clenbuterol." [] synonym: "(1R)-1-(4-amino-3,5-dichlorophenyl)-2-(tert-butylamino)ethanol hydrochloride" EXACT IUPAC_NAME [IUPAC:] synonym: "(R)-(-)-clenbuterol hydrochloride" RELATED [ChEBI:] synonym: "(-)-clenbuterol hydrochloride" RELATED [ChEBI:] synonym: "C12H19Cl3N2O" RELATED FORMULA [ChEBI:] synonym: "Cl.CC(C)(C)NC[C@H](O)c1cc(Cl)c(N)c(Cl)c1" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C12H18Cl2N2O.ClH/c1-12(2,3)16-6-10(17)7-4-8(13)11(15)9(14)5-7;/h4-5,10,16-17H,6,15H2,1-3H3;1H/t10-;/m0./s1" RELATED InChI [ChEBI:] synonym: "InChIKey=OPXKTCUYRHXSBK-PPHPATTJSA-N" RELATED InChIKey [ChEBI:] xref: Beilstein:9368591 "Beilstein Registry Number" is_a: CHEBI:31410 relationship: is_enantiomer_of CHEBI:59570 [Term] id: CHEBI:59599 name: colesevelam hydrochloride def: "The hydrochloride of colesevelam. It is used as an orally administered bile acid sequestrant to reduce the amount of cholesterol and certain fatty substances in the blood." [] synonym: "colesevelam HCl" RELATED [ChemIDplus:] xref: KEGG DRUG:182815-44-7 "CAS Registry Number" xref: Patent:US5693675 "Patent" xref: DrugBank:DB00930 "DrugBank" xref: ChemIDplus:182815-44-7 "CAS Registry Number" xref: Patent:WO9534585 "Patent" xref: KEGG DRUG:D03582 "KEGG DRUG" is_a: CHEBI:36807 relationship: has_role CHEBI:35821 is_a: CHEBI:53242 relationship: has_part CHEBI:59594 [Term] id: CHEBI:59602 name: colestipol hydrochloride def: "The hydrochloride of colestipol, a highly cross-linked, high molecular weight copolymer of diethylenetriamine and epichlorohydrin (hydrochloride), with approximately 1 out of 5 amine nitrogens protonated. It is used for binding bile acids in the intestine, inhibiting their reabsorption." [] synonym: "colestipol HCl" RELATED [ChemIDplus:] synonym: "copolymer of diethylenetriamine and 1-chloro-2,3-epoxypropane, hydrochloride" RELATED [ChemIDplus:] synonym: "InChI=1S/C4H13N3.C3H5ClO.ClH/c5-1-3-7-4-2-6;4-1-3-2-5-3;/h7H,1-6H2;3H,1-2H2;1H" RELATED InChI [ChEBI:] synonym: "InChIKey=OJBNDADUQQUPLL-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: KEGG DRUG:D02113 "KEGG DRUG" xref: DrugBank:DB00375 "DrugBank" xref: KEGG DRUG:37296-80-3 "CAS Registry Number" xref: ChemIDplus:37296-80-3 "CAS Registry Number" is_a: CHEBI:36807 relationship: has_part CHEBI:3814 relationship: has_role CHEBI:35821 [Term] id: CHEBI:59649 name: amorolfine hydrochloride def: "The hydrochloride salt of amorolfine." [] synonym: "meso-2,6-dimethyl-4-{2-methyl-3-[4-(2-methylbutan-2-yl)phenyl]propyl}morpholine" RELATED [ChEBI:] synonym: "(2R,6S)-2,6-dimethyl-4-{2-methyl-3-[4-(2-methylbutan-2-yl)phenyl]propyl}morpholine hydrochloride" EXACT IUPAC_NAME [IUPAC:] synonym: "C21H36ClNO" RELATED FORMULA [ChEBI:] synonym: "Cl.CCC(C)(C)c1ccc(CC(C)CN2C[C@H](C)O[C@H](C)C2)cc1" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C21H35NO.ClH/c1-7-21(5,6)20-10-8-19(9-11-20)12-16(2)13-22-14-17(3)23-18(4)15-22;/h8-11,16-18H,7,12-15H2,1-6H3;1H/t16?,17-,18+;" RELATED InChI [ChEBI:] synonym: "InChIKey=XZKWIPVTHGWDCF-KUZYQSSXSA-N" RELATED InChIKey [ChEBI:] xref: KEGG DRUG:78613-38-4 "CAS Registry Number" xref: ChemIDplus:78613-38-4 "CAS Registry Number" xref: Beilstein:9364702 "Beilstein Registry Number" xref: KEGG DRUG:D01720 "KEGG DRUG" is_a: CHEBI:36807 relationship: has_part CHEBI:599440 relationship: has_role CHEBI:35718 relationship: has_role CHEBI:59285 [Term] id: CHEBI:31430 name: conivaptan hydrochloride def: "The hydrochloride salt of conivaptan. It is an antagonist for two of the three types of arginine vasopressin (AVP) receptors, V1a and V2, and is used for the treatment of hyponatraemia (low blood sodium levels) caused by syndrome of inappropriate antidiuretic hormone (SIADH)." [] synonym: "4'-((4,5-dihydro-2-methylimidazo(4,5-d)(1)benzazepin-6(1H)-yl)carbonyl)-2-biphenylcarboxanilide monohydrochloride" RELATED [ChemIDplus:] synonym: "N-{4-[(2-methyl-4,5-dihydroimidazo[4,5-d][1]benzazepin-6(1H)-yl)carbonyl]phenyl}biphenyl-2-carboxamide hydrochloride" EXACT IUPAC_NAME [IUPAC:] synonym: "conivaptan HCl" RELATED [ChemIDplus:] synonym: "C32H27ClN4O2" RELATED FORMULA [ChEBI:] synonym: "Cl.Cc1nc2CCN(C(=O)c3ccc(NC(=O)c4ccccc4-c4ccccc4)cc3)c3ccccc3-c2[nH]1" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C32H26N4O2.ClH/c1-21-33-28-19-20-36(29-14-8-7-13-27(29)30(28)34-21)32(38)23-15-17-24(18-16-23)35-31(37)26-12-6-5-11-25(26)22-9-3-2-4-10-22;/h2-18H,19-20H2,1H3,(H,33,34)(H,35,37);1H" RELATED InChI [ChEBI:] synonym: "InChIKey=BTYHAFSDANBVMJ-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: DrugBank:DB00872 "DrugBank" xref: ChemIDplus:168626-94-6 "CAS Registry Number" xref: Beilstein:8667691 "Beilstein Registry Number" xref: KEGG DRUG:D01236 "KEGG DRUG" xref: KEGG DRUG:168626-94-6 "CAS Registry Number" is_a: CHEBI:36807 relationship: has_part CHEBI:681850 relationship: has_role CHEBI:59680 [Term] id: CHEBI:3997 name: cyclobenzaprine hydrochloride def: "The hydrochloride salt of cyclobenzaprine. A centrally acting skeletal muscle relaxant, it is used in the symptomatic treatment of painful muscle spasm." [] synonym: "3-(5H-dibenzo[a,d]cyclohepten-5-ylidene)-N,N-dimethylpropan-1-amine hydrochloride" EXACT IUPAC_NAME [IUPAC:] synonym: "cyclobenzaprine HCl" RELATED [ChemIDplus:] synonym: "3-(5H-dibenzo[a,d][7]annulen-5-ylidene)-N,N-dimethylpropan-1-amine hydrochloride" EXACT IUPAC_NAME [IUPAC:] synonym: "N,N-dimethyl-5H-dibenzo(a,d)cycloheptene-Delta(5,gamma)-propylamine hydrochloride" RELATED [ChemIDplus:] synonym: "C20H22ClN" RELATED FORMULA [ChEBI:] synonym: "Cl.CN(C)CCC=C1c2ccccc2C=Cc2ccccc12" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C20H21N.ClH/c1-21(2)15-7-12-20-18-10-5-3-8-16(18)13-14-17-9-4-6-11-19(17)20;/h3-6,8-14H,7,15H2,1-2H3;1H" RELATED InChI [ChEBI:] synonym: "InChIKey=VXEAYBOGHINOKW-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: ChemIDplus:6202-23-9 "CAS Registry Number" xref: DrugBank:DB00924 "DrugBank" xref: KEGG DRUG:6202-23-9 "CAS Registry Number" xref: Patent:FR2100873 "Patent" xref: KEGG DRUG:D00772 "KEGG DRUG" xref: Beilstein:6247987 "Beilstein Registry Number" is_a: CHEBI:36807 is_a: CHEBI:36809 relationship: has_role CHEBI:51371 relationship: has_parent_hydride CHEBI:35642 relationship: has_part CHEBI:3996 [Term] id: CHEBI:4025 name: cyclopentolate hydrochloride def: "The hydrochloride salt of cyclopentolate. It is used to produce mydriasis (excessive dilation of the pupil) and cycloplegia (paralysis of the ciliary muscle of the eye) for opthalmic diagnostic procedures. It acts more quickly than atropine and has a shorter duration of action." [] synonym: "cyclopentolate HCl" RELATED [ChemIDplus:] synonym: "(+-)-cyclopentolate HCl" RELATED [ChEBI:] synonym: "beta-dimethylaminoethyl (1-hydroxycyclopentyl)phenylacetate hydrochloride" RELATED [ChemIDplus:] synonym: "2-(dimethylamino)ethyl (+-)-1-hydroxy-alpha-phenylcyclopentaneacetate hydrochloride" RELATED [ChemIDplus:] synonym: "2-(dimethylamino)ethyl (1-hydroxycyclopentyl)(phenyl)acetate hydrochloride" EXACT IUPAC_NAME [IUPAC:] synonym: "2-(dimethylamino)ethyl 1-hydroxy-alpha-phenylcyclopentaneacetate hydrochloride" RELATED [ChemIDplus:] xref: KEGG DRUG:D01002 "KEGG DRUG" xref: Wikipedia:Cyclopentolate "Wikipedia" xref: DrugBank:DB00979 "DrugBank" xref: KEGG DRUG:5870-29-1 "CAS Registry Number" xref: Beilstein:3760509 "Beilstein Registry Number" xref: ChemIDplus:5870-29-1 "CAS Registry Number" is_a: CHEBI:36807 relationship: has_part CHEBI:4024 relationship: has_role CHEBI:50513 relationship: has_role CHEBI:50370 relationship: has_role CHEBI:33295 relationship: has_role CHEBI:48876 [Term] id: CHEBI:59690 name: (R)-cyclopentolate hydrochloride alt_id: CHEBI:65227 def: "The hydrochloride salt of (R)-cyclopentolate." [] synonym: "2-(dimethylamino)ethyl (2R)-(1-hydroxycyclopentyl)(phenyl)ethanoate hydrochloride" EXACT IUPAC_NAME [IUPAC:] synonym: "(R)-cyclopentolate HCl" RELATED [ChEBI:] synonym: "C17H26ClNO3" RELATED FORMULA [ChEBI:] synonym: "Cl.CN(C)CCOC(=O)[C@H](c1ccccc1)C1(O)CCCC1" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C17H25NO3.ClH/c1-18(2)12-13-21-16(19)15(14-8-4-3-5-9-14)17(20)10-6-7-11-17;/h3-5,8-9,15,20H,6-7,10-13H2,1-2H3;1H/t15-;/m0./s1" RELATED InChI [ChEBI:] synonym: "InChIKey=RHKZVMUBMXGOLL-RSAXXLAASA-N" RELATED InChIKey [ChEBI:] xref: DrugBank:DB00979 "DrugBank" is_a: CHEBI:4025 relationship: is_enantiomer_of CHEBI:59691 is_a: CHEBI:36807 relationship: has_part CHEBI:59688 [Term] id: CHEBI:59691 name: (S)-cyclopentolate hydrochloride def: "The hydrochloride salt of (S)-cyclopentolate." [] synonym: "2-(dimethylamino)ethyl (2S)-(1-hydroxycyclopentyl)(phenyl)ethanoate hydrochloride" EXACT IUPAC_NAME [IUPAC:] synonym: "(S)-cyclopentolate HCl" RELATED [ChEBI:] synonym: "C17H26ClNO3" RELATED FORMULA [ChEBI:] synonym: "Cl.CN(C)CCOC(=O)[C@@H](c1ccccc1)C1(O)CCCC1" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C17H25NO3.ClH/c1-18(2)12-13-21-16(19)15(14-8-4-3-5-9-14)17(20)10-6-7-11-17;/h3-5,8-9,15,20H,6-7,10-13H2,1-2H3;1H/t15-;/m1./s1" RELATED InChI [ChEBI:] synonym: "InChIKey=RHKZVMUBMXGOLL-XFULWGLBSA-N" RELATED InChIKey [ChEBI:] xref: DrugBank:DB00979 "DrugBank" is_a: CHEBI:4025 relationship: is_enantiomer_of CHEBI:59690 relationship: has_part CHEBI:59689 is_a: CHEBI:36807 [Term] id: CHEBI:59693 name: cycrimine hydrochloride def: "The hydrochloride salt of cycrimine. A central anticholinergic, it is used as its hydrochloride salt in the management and treatment of Parkinson's disease." [] synonym: "(+-)-cycrimine hydrochloride" RELATED [ChEBI:] synonym: "cycrimine HCl" RELATED [ChemIDplus:] synonym: "alpha-cyclopentyl-alpha-phenyl-1-piperidinepropanol hydrochloride" RELATED [ChemIDplus:] synonym: "1-cyclopentyl-1-phenyl-3-(piperidin-1-yl)propan-1-ol hydrochloride" EXACT IUPAC_NAME [IUPAC:] synonym: "(+-)-cycrimine HCl" RELATED [ChemIDplus:] synonym: "C19H30ClNO" RELATED FORMULA [ChEBI:] synonym: "Cl.OC(CCN1CCCCC1)(C1CCCC1)c1ccccc1" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C19H29NO.ClH/c21-19(18-11-5-6-12-18,17-9-3-1-4-10-17)13-16-20-14-7-2-8-15-20;/h1,3-4,9-10,18,21H,2,5-8,11-16H2;1H" RELATED InChI [ChEBI:] synonym: "InChIKey=WBCWFMFZMRFRLT-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: ChemIDplus:126-02-3 "CAS Registry Number" xref: DrugBank:DB00942 "DrugBank" xref: Beilstein:3750497 "Beilstein Registry Number" is_a: CHEBI:36807 relationship: has_part CHEBI:59692 relationship: has_role CHEBI:48876 relationship: has_role CHEBI:48407 [Term] id: CHEBI:59709 name: (R)-cycrimine hydrochloride def: "The hydrochloride salt of (R)-cycrimine." [] synonym: "(R)-cycrimine HCl" RELATED [ChEBI:] synonym: "(1R)-alpha-cyclopentyl-alpha-phenyl-1-piperidinepropanol hydrochloride" RELATED [ChEBI:] synonym: "(1R)-1-cyclopentyl-1-phenyl-3-(piperidin-1-yl)propan-1-ol hydrochloride" EXACT IUPAC_NAME [IUPAC:] synonym: "C19H30ClNO" RELATED FORMULA [ChEBI:] synonym: "Cl.O[C@](CCN1CCCCC1)(C1CCCC1)c1ccccc1" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C19H29NO.ClH/c21-19(18-11-5-6-12-18,17-9-3-1-4-10-17)13-16-20-14-7-2-8-15-20;/h1,3-4,9-10,18,21H,2,5-8,11-16H2;1H/t19-;/m0./s1" RELATED InChI [ChEBI:] synonym: "InChIKey=WBCWFMFZMRFRLT-FYZYNONXSA-N" RELATED InChIKey [ChEBI:] xref: DrugBank:DB00942 "DrugBank" is_a: CHEBI:36807 relationship: has_part CHEBI:59706 relationship: is_enantiomer_of CHEBI:59710 is_a: CHEBI:59693 [Term] id: CHEBI:59710 name: (S)-cycrimine hydrochloride def: "The hydrochloride salt of (S)-cycrimine." [] synonym: "(1S)-1-cyclopentyl-1-phenyl-3-(piperidin-1-yl)propan-1-ol hydrochloride" EXACT IUPAC_NAME [IUPAC:] synonym: "(1S)-alpha-cyclopentyl-alpha-phenyl-1-piperidinepropanol hydrochloride" RELATED [ChEBI:] synonym: "(S)-cycrimine HCl" RELATED [ChEBI:] synonym: "C19H30ClNO" RELATED FORMULA [ChEBI:] synonym: "Cl.O[C@@](CCN1CCCCC1)(C1CCCC1)c1ccccc1" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C19H29NO.ClH/c21-19(18-11-5-6-12-18,17-9-3-1-4-10-17)13-16-20-14-7-2-8-15-20;/h1,3-4,9-10,18,21H,2,5-8,11-16H2;1H/t19-;/m1./s1" RELATED InChI [ChEBI:] synonym: "InChIKey=WBCWFMFZMRFRLT-FSRHSHDFSA-N" RELATED InChIKey [ChEBI:] xref: DrugBank:DB00942 "DrugBank" is_a: CHEBI:36807 relationship: has_part CHEBI:59707 relationship: is_enantiomer_of CHEBI:59709 is_a: CHEBI:59693 [Term] id: CHEBI:59695 name: cyproheptadine hydrochloride (anhydrous) def: "The hydrochloride salt of cyproheptadine. Note that the drug named cyproheptadine hydrochloride generally refers to cyproheptadine hydrochloride sesquihydrate." [] synonym: "cyproheptadine hydrochloride anhydrous" RELATED [ChemIDplus:] synonym: "4-(5H-dibenzo[a,d]cyclohepten-5-ylidene)-1-methylpiperidine hydrochloride" EXACT IUPAC_NAME [IUPAC:] synonym: "cyproheptadine HCl" RELATED [ChemIDplus:] synonym: "cyproheptadine hydrochloride" RELATED [ChemIDplus:] synonym: "anhydrous cyproheptadine hydrochloride" RELATED [ChEBI:] synonym: "cyproheptadine hydrochloride (anh.)" RELATED [ChEBI:] synonym: "C21H22ClN" RELATED FORMULA [ChEBI:] synonym: "Cl.CN1CCC(CC1)=C1c2ccccc2C=Cc2ccccc12" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C21H21N.ClH/c1-22-14-12-18(13-15-22)21-19-8-4-2-6-16(19)10-11-17-7-3-5-9-20(17)21;/h2-11H,12-15H2,1H3;1H" RELATED InChI [ChEBI:] synonym: "InChIKey=ZPMVNZLARAEGHB-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: Reaxys:3575322 "Reaxys Registry Number" xref: ChemIDplus:969-33-5 "CAS Registry Number" xref: Beilstein:3575322 "Beilstein Registry Number" is_a: CHEBI:36807 relationship: has_part CHEBI:4046 [Term] id: CHEBI:650917 name: cyproheptadine hydrochloride sesquihydrate alt_id: CHEBI:188266 def: "The sesquihydrate of cyproheptadine hydrochloride. Note that the drug named cyproheptadine hydrochloride generally refers to cyproheptadine hydrochloride sesquihydrate. A sedating antihistamine with antimuscarinic and calcium-channel blocking actions, it is used for the relief of allergic conditions including rhinitis, conjunctivitis due to inhalant allergens and foods, urticaria and angioedema, and in pruritic skin disorders. Unlike other antihistamines, it is also a seratonin receptor antagonist, making it useful in conditions such as vascular headache and anorexia." [] synonym: "Cyproheptadine hydrochloride" RELATED [ChEMBL:] synonym: "4-(5H-dibenzo[a,d]cyclohepten-5-ylidene)-1-methylpiperidine hydrochloride--water (2/3)" EXACT IUPAC_NAME [IUPAC:] synonym: "4-(5H-dibenzo(a,d)cyclohepten-5-ylidene)-1-methylpiperidine hydrochloride sesquihydrate" RELATED [ChemIDplus:] synonym: "CYPROHEPTADINE HYDROCHLORIDE" RELATED [ChEMBL:] synonym: "C42H50Cl2N2O3" RELATED FORMULA [ChEBI:] synonym: "O.O.O.Cl.Cl.CN1CCC(CC1)=C1c2ccccc2C=Cc2ccccc12.CN1CCC(CC1)=C1c2ccccc2C=Cc2ccccc12" RELATED SMILES [ChEBI:] synonym: "InChI=1S/2C21H21N.2ClH.3H2O/c2*1-22-14-12-18(13-15-22)21-19-8-4-2-6-16(19)10-11-17-7-3-5-9-20(17)21;;;;;/h2*2-11H,12-15H2,1H3;2*1H;3*1H2" RELATED InChI [ChEBI:] synonym: "InChIKey=ZEAUHIZSRUAMQG-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: ChEMBL:3172125 "PubMed citation" xref: ChemIDplus:41354-29-4 "CAS Registry Number" xref: DrugBank:DB00434 "DrugBank" xref: KEGG DRUG:D02234 "KEGG DRUG" xref: KEGG DRUG:41354-29-4 "CAS Registry Number" is_a: CHEBI:35505 relationship: has_role CHEBI:48279 relationship: has_role CHEBI:59683 relationship: has_role CHEBI:50857 relationship: has_role CHEBI:55324 relationship: has_part CHEBI:59695 relationship: has_role CHEBI:37955 [Term] id: CHEBI:59725 name: demeclocycline hydrochloride def: "The hydrochloride salt of demeclocycline. A tetracycline antibiotic, it is used (mainly as the hydrochloride) for the treatment of Lyme disease, acne and bronchitis, as well as for hyponatraemia (low blood sodium concentration) due to the syndrome of inappropriate antidiuretic hormone (SIADH) where fluid restriction alone has been ineffective." [] synonym: "demeclocycline HCl" RELATED [ChemIDplus:] synonym: "7-chloro-6-demethyltetracycline hydrochloride" RELATED [ChemIDplus:] synonym: "[4S-(4alpha,4aalpha,5aalpha,6beta,12aalpha)]-7-chloro-4-(dimethylamino)1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-1,11-dioxo-2-naphthacenecarboxamide hydrochloride" RELATED [ChEBI:] synonym: "(4S,4aS,5aS,6S,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide hydrochloride" EXACT IUPAC_NAME [IUPAC:] synonym: "6-demethyl-7-chlorotetracycline hydrochloride" RELATED [ChemIDplus:] synonym: "demeclocycline hydrochloride" RELATED INN [ChemIDplus:] synonym: "C21H22Cl2N2O8" RELATED FORMULA [ChEBI:] synonym: "Cl.[H][C@]12C[C@@]3([H])[C@H](N(C)C)C(O)=C(C(N)=O)C(=O)[C@@]3(O)C(O)=C1C(=O)c1c(O)ccc(Cl)c1[C@H]2O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C21H21ClN2O8.ClH/c1-24(2)14-7-5-6-10(16(27)12-9(25)4-3-8(22)11(12)15(6)26)18(29)21(7,32)19(30)13(17(14)28)20(23)31;/h3-4,6-7,14-15,25-26,28-29,32H,5H2,1-2H3,(H2,23,31);1H/t6-,7-,14-,15-,21-;/m0./s1" RELATED InChI [ChEBI:] synonym: "InChIKey=GVSJQNRGSCOSNJ-KBHRXELFSA-N" RELATED InChIKey [ChEBI:] xref: ChemIDplus:64-73-3 "CAS Registry Number" xref: Beilstein:5705221 "Beilstein Registry Number" xref: KEGG DRUG:D00290 "KEGG DRUG" xref: DrugBank:DB00618 "DrugBank" is_a: CHEBI:36807 relationship: has_part CHEBI:4392 relationship: has_role CHEBI:36047 [Term] id: CHEBI:59729 name: fenfluramine hydrochloride def: "The hydrochloride salt of fenfluramine. It binds to the serotonin reuptake pump, causing inhbition of serotonin uptake and release of serotonin. The resulting increased levels of serotonin lead to greater serotonin receptor activation which in turn lead to enhancement of serotoninergic transmission in the centres of feeding behavior located in the hypothalamus. This suppresses the appetite for carbohydrates. Fenfluramine hydrochloride was used for treatment of diabetes and obesity. It was withdrawn worldwide after reports of heart valve disease and pulmonary hypertension." [] synonym: "N-ethyl-alpha-methyl-m-(trifluoromethyl)phenethylamine hydrochloride" RELATED [ChemIDplus:] synonym: "N-ethyl-1-[3-(trifluoromethyl)phenyl]propan-2-aminium chloride" EXACT IUPAC_NAME [IUPAC:] synonym: "N-ethyl-1-[3-(trifluoromethyl)phenyl]propan-2-amine hydrochloride" RELATED [IUPAC:] synonym: "(+-)-fenfluramine HCl" RELATED [ChEBI:] synonym: "NN-ethyl-alpha-methyl-3-trifluoromethylphenethylamine hydrochloride" RELATED [ChemIDplus:] synonym: "fenfluramine HCl" RELATED [ChemIDplus:] synonym: "(+-)-fenfluramine hydrochloride" RELATED [ChEBI:] synonym: "1-(3-trifluoromethylphenyl)-2-ethylaminopropane hydrochloride" RELATED [ChemIDplus:] synonym: "C12H17ClF3N" RELATED FORMULA [ChEBI:] synonym: "[Cl-].CC[NH2+]C(C)Cc1cccc(c1)C(F)(F)F" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C12H16F3N.ClH/c1-3-16-9(2)7-10-5-4-6-11(8-10)12(13,14)15;/h4-6,8-9,16H,3,7H2,1-2H3;1H" RELATED InChI [ChEBI:] synonym: "InChIKey=ZXKXJHAOUFHNAS-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: Beilstein:5652886 "Beilstein Registry Number" xref: DrugBank:DB00574 "DrugBank" xref: ChemIDplus:404-82-0 "CAS Registry Number" xref: KEGG DRUG:D04148 "KEGG DRUG" is_a: CHEBI:36807 is_a: CHEBI:46850 relationship: has_role CHEBI:50949 relationship: has_role CHEBI:35941 relationship: has_role CHEBI:50507 relationship: has_part CHEBI:5000 [Term] id: CHEBI:59730 name: (S)-fenfluramine hydrochloride def: "The hydrochloride salt of (S)-fenfluramine. It stimulates the release of serotonin and selectively inhibits its reuptake, but unlike the racemate it does not possess catecholamine agonist activity. It was formerly given by mouth in the treatment of obesity, but, like the racemate, was withdrawn wolrdwide following reports of valvular heart defects." [] synonym: "(2S)-N-ethyl-1-[3-(trifluoromethyl)phenyl]propan-2-aminium chloride" EXACT IUPAC_NAME [IUPAC:] synonym: "dexfenfluramine HCl" RELATED [ChemIDplus:] synonym: "dexfenfluramine hydrochloride" RELATED INN [ChemIDplus:] synonym: "(2S)-N-ethyl-1-[3-(trifluoromethyl)phenyl]propan-2-amine hydrochloride" RELATED [IUPAC:] synonym: "(+)-fenfluramine hydrochloride" RELATED [ChemIDplus:] synonym: "dexfenfluramine HCl" RELATED [ChEBI:] synonym: "(+)-(S)-N-ethyl-alpha-methyl-m-(trifluoromethyl)phenethylamine hydrochloride" RELATED [ChemIDplus:] synonym: "dextrofenfluramine hydrochloride" RELATED [ChEBI:] synonym: "C12H17ClF3N" RELATED FORMULA [ChEBI:] synonym: "[Cl-].CC[NH2+][C@@H](C)Cc1cccc(c1)C(F)(F)F" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C12H16F3N.ClH/c1-3-16-9(2)7-10-5-4-6-11(8-10)12(13,14)15;/h4-6,8-9,16H,3,7H2,1-2H3;1H/t9-;/m0./s1" RELATED InChI [ChEBI:] synonym: "InChIKey=ZXKXJHAOUFHNAS-FVGYRXGTSA-N" RELATED InChIKey [ChEBI:] xref: Beilstein:8165762 "Beilstein Registry Number" xref: DrugBank:DB01191 "DrugBank" xref: Beilstein:7114728 "Beilstein Registry Number" xref: ChemIDplus:3239-45-0 "CAS Registry Number" xref: KEGG DRUG:D03713 "KEGG DRUG" is_a: CHEBI:59729 relationship: has_role CHEBI:50949 relationship: has_role CHEBI:35941 relationship: has_role CHEBI:50507 relationship: has_part CHEBI:439329 [Term] id: CHEBI:59735 name: cinchocaine hydrochloride def: "The monohydrochloride salt of cinchocaine. It is used in creams, ointments and suppositories for temporary relief of pain and itching associated with skin and anorectal conditions." [] synonym: "2-{[(2-butoxyquinolin-4-yl)carbonyl]amino}-N,N-diethylethanaminium chloride" EXACT IUPAC_NAME [IUPAC:] synonym: "2-N-butoxy-N-(2-diethylaminoethyl)cinchoninamide hydrochloride" RELATED [ChemIDplus:] synonym: "dibucaine hydrochloride" RELATED [ChemIDplus:] synonym: "dibucaine HCl" RELATED [ChemIDplus:] synonym: "cinchocaine HCl" RELATED [ChEBI:] synonym: "2-butoxy-N-(2-(diethylamino)ethyl)cinchoninamide monohydrochloride" RELATED [ChemIDplus:] synonym: "2-butoxy-N-(2-diethylaminoethyl)cinchoninic acid amide hydrochloride" RELATED [ChemIDplus:] synonym: "2-butoxy-N-(2-diethylaminoethyl)cinchoninamide hydrochloride" RELATED [ChemIDplus:] synonym: "2-butoxy-N-[2-(diethylamino)ethyl]quinoline-4-carboxamide hydrochloride" RELATED [IUPAC:] synonym: "C20H30ClN3O2" RELATED FORMULA [ChEBI:] synonym: "[Cl-].CCCCOc1cc(C(=O)NCC[NH+](CC)CC)c2ccccc2n1" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C20H29N3O2.ClH/c1-4-7-14-25-19-15-17(16-10-8-9-11-18(16)22-19)20(24)21-12-13-23(5-2)6-3;/h8-11,15H,4-7,12-14H2,1-3H3,(H,21,24);1H" RELATED InChI [ChEBI:] synonym: "InChIKey=IVHBBMHQKZBJEU-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: NIST Chemistry WebBook:61-12-1 "CAS Registry Number" xref: Patent:US1825623 "Patent" xref: Beilstein:3770332 "Beilstein Registry Number" xref: DrugBank:DB00527 "DrugBank" xref: ChemIDplus:61-12-1 "CAS Registry Number" xref: KEGG DRUG:D02220 "KEGG DRUG" is_a: CHEBI:36807 relationship: has_part CHEBI:247956 [Term] id: CHEBI:4515 name: dicyclomine hydrochloride def: "The hydrochloride salt of dicyclomine. An anticholinergic, it is used to treat or prevent spasm in the muscles of the gastrointestinal tract, particularly that associated with irritable bowel syndrome." [] synonym: "dicyclomine HCl" RELATED [ChemIDplus:] synonym: "2-(diethylamino)ethyl 1,1'-bi(cyclohexyl)-1-carboxylate hydrochloride" RELATED [IUPAC:] synonym: "2-diethylaminoethyl bicyclohexyl-1-carboxylate hydrochloride" RELATED [ChemIDplus:] synonym: "2-(diethylamino)ethyl (bicyclohexyl)-1-carboxylate hydrochloride" RELATED [ChemIDplus:] synonym: "beta-diethylaminoethyl 1-cyclohexylcyclohexanecarboxylate hydrochloride" RELATED [ChemIDplus:] synonym: "2-{[1,1'-bi(cyclohexyl)-1-ylcarbonyl]oxy}-N,N-diethylethanaminium chloride" EXACT IUPAC_NAME [IUPAC:] synonym: "dicycloverin hydrochloride" RELATED [ChemIDplus:] synonym: "(bicyclohexyl)-1-carboxylic acid, 2-(diethylamino)ethyl ester, hydrochloride" RELATED [ChemIDplus:] synonym: "dicycloverin HCl" RELATED [ChemIDplus:] synonym: "C19H36ClNO2" RELATED FORMULA [ChEBI:] synonym: "[Cl-].CC[NH+](CC)CCOC(=O)C1(CCCCC1)C1CCCCC1" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C19H35NO2.ClH/c1-3-20(4-2)15-16-22-18(21)19(13-9-6-10-14-19)17-11-7-5-8-12-17;/h17H,3-16H2,1-2H3;1H" RELATED InChI [ChEBI:] synonym: "InChIKey=GUBNMFJOJGDCEL-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: DrugBank:DB00804 "DrugBank" xref: Beilstein:3918799 "Beilstein Registry Number" xref: ChemIDplus:67-92-5 "CAS Registry Number" xref: KEGG DRUG:D00717 "KEGG DRUG" xref: KEGG DRUG:67-92-5 "CAS Registry Number" is_a: CHEBI:36807 relationship: has_role CHEBI:53784 relationship: has_role CHEBI:48876 relationship: has_part CHEBI:4514 [Term] id: CHEBI:643703 name: diethylpropion hydrochloride alt_id: CHEBI:130909 def: "The hydrochloride salt of diethylpropion. A central stimulant and indirect-acting sympathomimetic, it is an appetite depressant and is used as an anoretic in the short term management of obesity." [] synonym: "2-(diethylamino)-1-phenylpropan-1-one hydrochloride" RELATED [IUPAC:] synonym: "diethylpropion HCl" RELATED [ChemIDplus:] synonym: "amfepramone hydrochloride" RELATED [ChemIDplus:] synonym: "alpha-benzoyltriethylammonium chloride" RELATED [ChemIDplus:] synonym: "Diethylpropion hydrochloride" EXACT [ChEMBL:] synonym: "amfepramone HCl" RELATED [ChEBI:] synonym: "alpha-benzoyltriethylamine hydrochloride" RELATED [ChemIDplus:] synonym: "amphepramonum hydrochloride" RELATED [ChemIDplus:] synonym: "tenuate" RELATED [NIST Chemistry WebBook:] synonym: "N,N-diethyl-1-oxo-1-phenylpropan-2-aminium chloride" EXACT IUPAC_NAME [IUPAC:] synonym: "2-(diethylamino)propiophenone hydrochloride" RELATED [ChemIDplus:] synonym: "DIETHYLPROPION HYDROCHLORIDE" EXACT [ChEMBL:] synonym: "C13H20ClNO" RELATED FORMULA [ChEBI:] synonym: "[Cl-].CC[NH+](CC)C(C)C(=O)c1ccccc1" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C13H19NO.ClH/c1-4-14(5-2)11(3)13(15)12-9-7-6-8-10-12;/h6-11H,4-5H2,1-3H3;1H" RELATED InChI [ChEBI:] synonym: "InChIKey=ICFXZZFWRWNZMA-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: KEGG DRUG:D03801 "KEGG DRUG" xref: DrugBank:DB00937 "DrugBank" xref: ChemIDplus:134-80-5 "CAS Registry Number" xref: Beilstein:3915870 "Beilstein Registry Number" xref: NIST Chemistry WebBook:134-80-5 "CAS Registry Number" is_a: CHEBI:36807 relationship: has_part CHEBI:4530 relationship: has_role CHEBI:50507 [Term] id: CHEBI:645509 name: diltiazem hydrochloride alt_id: CHEBI:4603 alt_id: CHEBI:210872 def: "The hydrochloride salt of diltiazem. A calcium-channel blocker and vasodilator, it is used in the management of angina pectoris and hypertension." [] synonym: "Diltiazem hydrochloride" EXACT [ChEMBL:] synonym: "(+)-5-(2-(dimethylamino)ethyl)-cis-2,3-dihydro-3-hydroxy-2-(p-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one acetate ester monohydrochloride" RELATED [ChemIDplus:] synonym: "diltiazem HCl" RELATED [ChemIDplus:] synonym: "(2S,3S)-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl acetate hydrochloride" RELATED [IUPAC:] synonym: "2-[(2S,3S)-3-(acetyloxy)-2-(4-methoxyphenyl)-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]-N,N-dimethylethanaminium chloride" EXACT IUPAC_NAME [IUPAC:] synonym: "(2S-cis)-3-acetoxy-5-(2-(dimethylamino)ethyl)-2,3-dihydro-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one monohydrochloride" RELATED [ChemIDplus:] synonym: "Acetic acid (2S,3S)-5-(2-dimethylamino-ethyl)-2-(4-methoxy-phenyl)-4-oxo-2,3,4,5-tetrahydro-benzo[b][1,4]thiazepin-3-yl ester; hydrochloride" RELATED [ChEMBL:] synonym: "C22H27ClN2O4S" RELATED FORMULA [ChEBI:] synonym: "[Cl-].COc1ccc(cc1)[C@@H]1Sc2ccccc2N(CC[NH+](C)C)C(=O)[C@@H]1OC(C)=O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C22H26N2O4S.ClH/c1-15(25)28-20-21(16-9-11-17(27-4)12-10-16)29-19-8-6-5-7-18(19)24(22(20)26)14-13-23(2)3;/h5-12,20-21H,13-14H2,1-4H3;1H/t20-,21+;/m1./s1" RELATED InChI [ChEBI:] synonym: "InChIKey=HDRXZJPWHTXQRI-BHDTVMLSSA-N" RELATED InChIKey [ChEBI:] xref: KEGG DRUG:D00616 "KEGG DRUG" xref: ChemIDplus:33286-22-5 "CAS Registry Number" xref: Beilstein:4228706 "Beilstein Registry Number" xref: KEGG DRUG:33286-22-5 "CAS Registry Number" xref: DrugBank:DB00343 "DrugBank" is_a: CHEBI:36807 relationship: has_part CHEBI:101278 relationship: has_role CHEBI:35674 relationship: has_role CHEBI:35620 relationship: has_role CHEBI:38215 [Term] id: CHEBI:4637 name: diphenhydramine hydrochloride def: "The hydrochloride salt of diphenhydramine." [] synonym: "2-(diphenylmethoxy)-N,N-dimethylethanaminium chloride" EXACT IUPAC_NAME [IUPAC:] synonym: "alpha-hydroxydiphenylmethane-beta-dimethylaminoethyl ether hydrochloride" RELATED [ChemIDplus:] synonym: "diphenhydramine HCl" RELATED [ChemIDplus:] synonym: "beta-dimethylaminoethyl benzhydryl ether hydrochloride" RELATED [ChemIDplus:] synonym: "2-(benzhydryloxy)-N,N-dimethylethylamine hydrochloride" RELATED [ChemIDplus:] synonym: "2-(diphenylmethoxy)-N,N-dimethylethanamine hydrochloride" RELATED [IUPAC:] synonym: "C17H22ClNO" RELATED FORMULA [ChEBI:] synonym: "[Cl-].C[NH+](C)CCOC(c1ccccc1)c1ccccc1" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C17H21NO.ClH/c1-18(2)13-14-19-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16;/h3-12,17H,13-14H2,1-2H3;1H" RELATED InChI [ChEBI:] synonym: "InChIKey=PCHPORCSPXIHLZ-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: DrugBank:DB01075 "DrugBank" xref: ChemIDplus:147-24-0 "CAS Registry Number" xref: KEGG DRUG:D00669 "KEGG DRUG" xref: Wikipedia:Diphenhydramine_Hydrochloride "Wikipedia" xref: KEGG DRUG:147-24-0 "CAS Registry Number" xref: Beilstein:3918132 "Beilstein Registry Number" is_a: CHEBI:36807 relationship: has_part CHEBI:4636 relationship: has_role CHEBI:37955 relationship: has_role CHEBI:50919 relationship: has_role CHEBI:35717 relationship: has_role CHEBI:50857 relationship: has_role CHEBI:48876 relationship: has_role CHEBI:48407 relationship: has_role CHEBI:59683 relationship: has_role CHEBI:36333 is_a: CHEBI:46850 [Term] id: CHEBI:59784 name: diphenoxylate hydrochloride def: "The hydrochloride salt of diphenoxylate." [] synonym: "1-(3-cyano-3,3-diphenylpropyl)-4-phenylisonipecotic acid ethyl ester hydrochloride" RELATED [ChemIDplus:] synonym: "1-(3-cyano-3,3-diphenylpropyl)-4-(ethoxycarbonyl)-4-phenylpiperidinium chloride" EXACT IUPAC_NAME [IUPAC:] synonym: "ethyl 1-(3-cyano-3,3-diphenylpropyl)-4-phenylpiperidine-4-carboxylate hydrochloride" RELATED [IUPAC:] synonym: "diphenoxylate HCl" RELATED [ChemIDplus:] synonym: "4-ethoxycarbonyl-alpha,alpha,4-triphenyl-1-piperidinebutyronitrile hydrochloride" RELATED [NIST Chemistry WebBook:] synonym: "ethyl 1-(3-cyano-3,3-diphenylpropyl)-4-phenylisonipecotate monohydrochloride" RELATED [ChemIDplus:] synonym: "C30H33ClN2O2" RELATED FORMULA [ChEBI:] synonym: "[Cl-].CCOC(=O)C1(CC[NH+](CC1)CCC(C#N)(c1ccccc1)c1ccccc1)c1ccccc1" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C30H32N2O2.ClH/c1-2-34-28(33)29(25-12-6-3-7-13-25)18-21-32(22-19-29)23-20-30(24-31,26-14-8-4-9-15-26)27-16-10-5-11-17-27;/h3-17H,2,18-23H2,1H3;1H" RELATED InChI [ChEBI:] synonym: "InChIKey=SHTAFWKOISOCBI-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: Beilstein:6260600 "Beilstein Registry Number" xref: DrugBank:DB01081 "DrugBank" xref: KEGG DRUG:D03860 "KEGG DRUG" xref: ChemIDplus:3810-80-8 "CAS Registry Number" xref: NIST Chemistry WebBook:3810-80-8 "CAS Registry Number" is_a: CHEBI:36807 relationship: has_part CHEBI:4639 relationship: has_role CHEBI:55323 [Term] id: CHEBI:31508 name: diphenylpyraline hydrochloride alt_id: CHEBI:547448 def: "The hydrochloride salt of diphenylpyraline. A sedating antihistamine, it is used as the hydrochloride for the symptomatic relief of allergic conditions including rhinitis and hay fever, and in pruritic skin disorders." [] synonym: "4-(diphenylmethoxy)-1-methylpiperidine hydrochloride" RELATED [IUPAC:] synonym: "diphenylpyraline HCl" RELATED [ChemIDplus:] synonym: "1-methylpiperidyl-4-benzhydrylether hydrochloride" RELATED [ChemIDplus:] synonym: "4-(diphenylmethoxy)-1-methylpiperidinium chloride" EXACT IUPAC_NAME [IUPAC:] synonym: "1-methyl-4-piperidyl benzhydryl ether hydrochloride" RELATED [ChemIDplus:] synonym: "C19H24ClNO" RELATED FORMULA [ChEBI:] synonym: "[Cl-].C[NH+]1CCC(CC1)OC(c1ccccc1)c1ccccc1" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C19H23NO.ClH/c1-20-14-12-18(13-15-20)21-19(16-8-4-2-5-9-16)17-10-6-3-7-11-17;/h2-11,18-19H,12-15H2,1H3;1H" RELATED InChI [ChEBI:] synonym: "InChIKey=LPRLDRXGWKXRMQ-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: KEGG DRUG:D01172 "KEGG DRUG" xref: NIST Chemistry WebBook:132-18-3 "CAS Registry Number" xref: DrugBank:DB01146 "DrugBank" xref: Beilstein:3740556 "Beilstein Registry Number" xref: ChemIDplus:132-18-3 "CAS Registry Number" xref: KEGG DRUG:132-18-3 "CAS Registry Number" xref: ChEMBL:17714832 "PubMed citation" is_a: CHEBI:36807 relationship: has_part CHEBI:59788 relationship: has_role CHEBI:48873 relationship: has_role CHEBI:37955 [Term] id: CHEBI:59790 name: difenoxin hydrochloride def: "The hydrochloride salt of difenoxin. It has similar actions and uses to diphenoxylate hydrochloride, being administered for the symptomatic treatment of acute and chronic diarrhoea. In an attempt to discourage abuse (at high doses, difenoxin acts like morphine), preparations usually contain subclinical amounts of atropine sulfate." [] synonym: "1-(3-cyano-3,3-diphenylpropyl)-4-phenylpiperidine-4-carboxylic acid hydrochloride" RELATED [IUPAC:] synonym: "difenoxin HCl" RELATED [ChemIDplus:] synonym: "1-(3-cyano-3,3-diphenylpropyl)-4-phenylisonipecotic acid hydrochloride" RELATED [ChEBI:] synonym: "diphenoxylic acid hydrochloride" RELATED [ChemIDplus:] synonym: "4-carboxy-1-(3-cyano-3,3-diphenylpropyl)-4-phenylpiperidinium chloride" EXACT IUPAC_NAME [IUPAC:] synonym: "C28H29ClN2O2" RELATED FORMULA [ChEBI:] synonym: "[Cl-].OC(=O)C1(CC[NH+](CC1)CCC(C#N)(c1ccccc1)c1ccccc1)c1ccccc1" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C28H28N2O2.ClH/c29-22-28(24-12-6-2-7-13-24,25-14-8-3-9-15-25)18-21-30-19-16-27(17-20-30,26(31)32)23-10-4-1-5-11-23;/h1-15H,16-21H2,(H,31,32);1H" RELATED InChI [ChEBI:] synonym: "InChIKey=VMIZTXDGZPTKIK-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: ChemIDplus:35607-36-4 "CAS Registry Number" is_a: CHEBI:36807 relationship: has_part CHEBI:4534 relationship: has_role CHEBI:55323 [Term] id: CHEBI:4647 name: dipivefrin hydrochloride def: "The hydrochloride salt of dipivefrin. It is used topically as eye drops to reduce intra-ocular pressure in the treatment of open-angle glaucoma or ocular hypertension." [] synonym: "4-[1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diyl bis(2,2-dimethylpropanoate) hydrochloride" RELATED [IUPAC:] synonym: "dipivefrin HCl" RELATED [ChemIDplus:] synonym: "dipivefrine HCl" RELATED [ChEBI:] synonym: "2-{3,4-bis[(2,2-dimethylpropanoyl)oxy]phenyl}-2-hydroxy-N-methylethanaminium chloride" EXACT IUPAC_NAME [IUPAC:] synonym: "1-(3',4'-dipivaloyloxyphenyl)-2-methylamino-1-ethanol hydrochloride" RELATED [ChEBI:] synonym: "dipivefrine hydrochloride" RELATED [ChemIDplus:] synonym: "C19H30ClNO5" RELATED FORMULA [ChEBI:] synonym: "[Cl-].C[NH2+]CC(O)c1ccc(OC(=O)C(C)(C)C)c(OC(=O)C(C)(C)C)c1" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C19H29NO5.ClH/c1-18(2,3)16(22)24-14-9-8-12(13(21)11-20-7)10-15(14)25-17(23)19(4,5)6;/h8-10,13,20-21H,11H2,1-7H3;1H" RELATED InChI [ChEBI:] synonym: "InChIKey=VKFAUCPBMAGVRG-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: Beilstein:6458483 "Beilstein Registry Number" xref: KEGG DRUG:64019-93-8 "CAS Registry Number" xref: ChemIDplus:64019-93-8 "CAS Registry Number" xref: KEGG DRUG:D01017 "KEGG DRUG" xref: DrugBank:DB00449 "DrugBank" is_a: CHEBI:36807 relationship: has_part CHEBI:4646 relationship: has_role CHEBI:50266 relationship: has_role CHEBI:37886 relationship: has_role CHEBI:35524 relationship: has_role CHEBI:39456 [Term] id: CHEBI:4671 name: dobutamine hydrochloride def: "The hydrochloride salt of dobutamine. A beta1-adrenergic receptor agonist that has cardiac stimulant action without evoking vasoconstriction or tachycardia, it is used to increase the contractility of the heart in the management of acute heart failure." [] synonym: "N-[2-(3,4-dihydroxyphenyl)ethyl]-4-(4-hydroxyphenyl)butan-2-aminium chloride" EXACT IUPAC_NAME [IUPAC:] synonym: "dobutamine HCl" RELATED [ChemIDplus:] synonym: "DL-dobutamine hydrochloride" RELATED [ChemIDplus:] synonym: "4-(2-{[4-(4-hydroxyphenyl)butan-2-yl]amino}ethyl)benzene-1,2-diol hydrochloride" RELATED [IUPAC:] synonym: "(+-)-4-(2-((3-(p-hydroxyphenyl)-1-methylpropyl)amino)ethyl)pyrocatechol hydrochloride" RELATED [ChemIDplus:] synonym: "C18H24ClNO3" RELATED FORMULA [ChEBI:] synonym: "[Cl-].CC(CCc1ccc(O)cc1)[NH2+]CCc1ccc(O)c(O)c1" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C18H23NO3.ClH/c1-13(2-3-14-4-7-16(20)8-5-14)19-11-10-15-6-9-17(21)18(22)12-15;/h4-9,12-13,19-22H,2-3,10-11H2,1H3;1H" RELATED InChI [ChEBI:] synonym: "InChIKey=BQKADKWNRWCIJL-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: Beilstein:6023420 "Beilstein Registry Number" xref: ChemIDplus:49745-95-1 "CAS Registry Number" xref: KEGG DRUG:49745-95-1 "CAS Registry Number" xref: DrugBank:DB00841 "DrugBank" xref: KEGG DRUG:D00632 "KEGG DRUG" is_a: CHEBI:36807 relationship: has_part CHEBI:4670 relationship: has_role CHEBI:38147 relationship: has_role CHEBI:35524 relationship: has_role CHEBI:35522 [Term] id: CHEBI:4703 name: dorzolamide hydrochloride def: "The hydrochloride salt of dorzolamide. It is used in ophthalmic solutions to lower increased intraocular pressure in the treatment of open-angle glaucoma and ocular hypertension." [] synonym: "(SS,6S)-N-ethyl-6-methyl-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-aminium 7,7-dioxide chloride" EXACT IUPAC_NAME [IUPAC:] synonym: "dorzolamide HCl" RELATED [ChemIDplus:] synonym: "(4S,trans)-4-(ethylamino)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide 7,7-dioxide hydrochloride" RELATED [ChEBI:] synonym: "(4S,6S)-4-(ethylamino)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide 7,7-dioxide hydrochloride" RELATED [IUPAC:] synonym: "(4S,6S)-4-(ethylamino)-5,6-dihydro-6-methyl-4HH-thieno(2,3-b)thiopyran-2-sulfonamide 7,7-dioxide monohydrochloride" RELATED [ChemIDplus:] synonym: "C10H17ClN2O4S3" RELATED FORMULA [ChEBI:] synonym: "[Cl-].CC[NH2+][C@H]1C[C@H](C)S(=O)(=O)c2sc(cc12)S(N)(=O)=O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C10H16N2O4S3.ClH/c1-3-12-8-4-6(2)18(13,14)10-7(8)5-9(17-10)19(11,15)16;/h5-6,8,12H,3-4H2,1-2H3,(H2,11,15,16);1H/t6-,8-;/m0./s1" RELATED InChI [ChEBI:] synonym: "InChIKey=OSRUSFPMRGDLAG-QMGYSKNISA-N" RELATED InChIKey [ChEBI:] xref: DrugBank:DB00869 "DrugBank" xref: KEGG DRUG:D00653 "KEGG DRUG" xref: Beilstein:5896026 "Beilstein Registry Number" xref: KEGG DRUG:130693-82-2 "CAS Registry Number" xref: ChemIDplus:130693-82-2 "CAS Registry Number" is_a: CHEBI:36807 is_a: CHEBI:46850 relationship: has_part CHEBI:4702 relationship: has_role CHEBI:23018 relationship: has_role CHEBI:35674 relationship: has_role CHEBI:39456 [Term] id: CHEBI:59837 name: doxapram hydrochloride (anhydrous) def: "The hydrochloride salt of doxapram. A central and respiratory stimulant with a brief duration of action, both doxapram hydrochloride and its hydrate are used as a temporary treatment of acute respiratory failure, particularly when superimposed on chronic obstructive pulmonary disease, and of postoperative respiratory depression. It has also been used for treatment of postoperative shivering." [] synonym: "(+-)-doxapram hydrochloride (anhydrous)" RELATED [ChEBI:] synonym: "1-ethyl-4-[2-(morpholin-4-yl)ethyl]-3,3-diphenylpyrrolidin-2-one hydrochloride" RELATED [ChEBI:] synonym: "doxapram HCl" RELATED [ChemIDplus:] synonym: "doxapram hydrochloride" RELATED [ChemIDplus:] synonym: "(+-)-doxapram HCl" RELATED [ChEBI:] synonym: "3,3-diphenyl-1-ethyl-4-(2-morpholinoethyl)-2-pyrrolidinone hydrochloride" RELATED [ChemIDplus:] synonym: "4-[2-(1-ethyl-5-oxo-4,4-diphenylpyrrolidin-3-yl)ethyl]morpholin-4-ium chloride" EXACT IUPAC_NAME [IUPAC:] synonym: "C24H31ClN2O2" RELATED FORMULA [ChEBI:] synonym: "[Cl-].CCN1CC(CC[NH+]2CCOCC2)C(C1=O)(c1ccccc1)c1ccccc1" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C24H30N2O2.ClH/c1-2-26-19-22(13-14-25-15-17-28-18-16-25)24(23(26)27,20-9-5-3-6-10-20)21-11-7-4-8-12-21;/h3-12,22H,2,13-19H2,1H3;1H" RELATED InChI [ChEBI:] synonym: "InChIKey=MBGXILHMHYLZJT-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: Beilstein:4171633 "Beilstein Registry Number" xref: DrugBank:DB00561 "DrugBank" xref: ChemIDplus:113-07-5 "CAS Registry Number" is_a: CHEBI:36807 relationship: has_part CHEBI:681848 relationship: has_role CHEBI:35337 [Term] id: CHEBI:31520 name: doxapram hydrochloride monohydrate def: "The monohydrate form of doxapram hydrochloride. A central and respiratory stimulant with a brief duration of action, it is used as a temporary treatment of acute respiratory failure, particularly when superimposed on chronic obstructive pulmonary disease, and of postoperative respiratory depression. It has also been used for treatment of postoperative shivering." [] synonym: "Doxapram hydrochloride" RELATED [KEGG COMPOUND:] synonym: "(+-)-doxapram hydrochloride monohydrate" RELATED [ChEBI:] synonym: "(+-+-)-1-ethyl-4-(2-morpholinoethyl)-3,3-diphenyl-2-pyrrolidinone monohydrochloride monohydrate" RELATED [ChemIDplus:] synonym: "doxapram hydrochloride hydrate" RELATED [ChemIDplus:] synonym: "Doxapram hydrochloride monohydrate" EXACT [KEGG COMPOUND:] synonym: "4-[2-(1-ethyl-5-oxo-4,4-diphenylpyrrolidin-3-yl)ethyl]morpholin-4-ium chloride--water (1/1)" EXACT IUPAC_NAME [IUPAC:] synonym: "1-ethyl-4-[2-(morpholin-4-yl)ethyl]-3,3-diphenylpyrrolidin-2-one hydrochloride hydrate" RELATED [ChEBI:] synonym: "1-ethyl-4-[2-(morpholin-4-yl)ethyl]-3,3-diphenylpyrrolidin-2-one hydrochloride monohydrate" RELATED [ChEBI:] synonym: "1-ethyl-4-[2-(morpholin-4-yl)ethyl]-3,3-diphenylpyrrolidin-2-one hydrochloride--water (1/1)" RELATED [ChEBI:] synonym: "C24H33ClN2O3" RELATED FORMULA [ChEBI:] synonym: "O.[Cl-].CCN1CC(CC[NH+]2CCOCC2)C(C1=O)(c1ccccc1)c1ccccc1" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C24H30N2O2.ClH.H2O/c1-2-26-19-22(13-14-25-15-17-28-18-16-25)24(23(26)27,20-9-5-3-6-10-20)21-11-7-4-8-12-21;;/h3-12,22H,2,13-19H2,1H3;1H;1H2" RELATED InChI [ChEBI:] synonym: "InChIKey=ZOMBFZRWMLIDPX-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: DrugBank:DB00561 "DrugBank" xref: ChemIDplus:7081-53-0 "CAS Registry Number" xref: KEGG DRUG:7081-53-0 "CAS Registry Number" xref: KEGG DRUG:D01872 "KEGG DRUG" is_a: CHEBI:35505 relationship: has_part CHEBI:59837 relationship: has_role CHEBI:35337 [Term] id: CHEBI:4725 name: dyclonine hydrochloride def: "The hydrochloride salt of dyclonine." [] synonym: "1-[3-(4-butoxyphenyl)-3-oxopropyl]piperidinium chloride" EXACT IUPAC_NAME [IUPAC:] synonym: "4-n-butoxy-beta-(1-piperidyl)propiophenone hydrochloride" RELATED [ChemIDplus:] synonym: "4'-butoxy-3-piperidinopropiophenone hydrochloride" RELATED [ChemIDplus:] synonym: "dyclonine HCl" RELATED [ChemIDplus:] synonym: "1-(4-butoxyphenyl)-3-(piperidin-1-yl)propan-1-one hydrochloride" RELATED [IUPAC:] synonym: "C18H28ClNO2" RELATED FORMULA [ChEBI:] synonym: "[Cl-].CCCCOc1ccc(cc1)C(=O)CC[NH+]1CCCCC1" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C18H27NO2.ClH/c1-2-3-15-21-17-9-7-16(8-10-17)18(20)11-14-19-12-5-4-6-13-19;/h7-10H,2-6,11-15H2,1H3;1H" RELATED InChI [ChEBI:] synonym: "InChIKey=KNZADIMHVBBPOA-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: KEGG DRUG:D00735 "KEGG DRUG" xref: ChemIDplus:536-43-6 "CAS Registry Number" xref: Beilstein:3744808 "Beilstein Registry Number" is_a: CHEBI:36807 relationship: has_part CHEBI:4724 relationship: has_role CHEBI:48425 [Term] id: CHEBI:59862 name: myrophine hydrochloride def: "The hydrochloride salt of myrophine." [] synonym: "3-benzyloxy-17-methyl-7,8-didehydro-4,5alpha-epoxymorphinan-6alpha-yl tetradecanoate hydrochloride" EXACT IUPAC_NAME [IUPAC:] synonym: "C38H52ClNO4" RELATED FORMULA [ChEBI:] synonym: "Cl.[H][C@]1(OC(=O)CCCCCCCCCCCCC)C=C[C@@]2([H])[C@H]3Cc4ccc(OCc5ccccc5)c5O[C@]1([H])[C@]2(CCN3C)c45" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C38H51NO4.ClH/c1-3-4-5-6-7-8-9-10-11-12-16-19-34(40)42-33-23-21-30-31-26-29-20-22-32(41-27-28-17-14-13-15-18-28)36-35(29)38(30,37(33)43-36)24-25-39(31)2;/h13-15,17-18,20-23,30-31,33,37H,3-12,16,19,24-27H2,1-2H3;1H/t30-,31+,33-,37-,38-;/m0./s1" RELATED InChI [ChEBI:] synonym: "InChIKey=OIJOFEMANOKQAR-VRVMWUCTSA-N" RELATED InChIKey [ChEBI:] is_a: CHEBI:36807 relationship: has_part CHEBI:59860 relationship: has_role CHEBI:35482 [Term] id: CHEBI:59880 name: encainide hydrochloride def: "The hydrochloride salt of encainide. A class Ic antiarrhythmic, it was used for the treatment of severe or life-threatening ventricular arrhythmias, but it was associated with increased death rates in patients who had asymptomatic heart rhythm abnormalities after a recent heart attack and was withdrawn from the market." [] synonym: "4-methoxy-2'-(2-(1-methyl-2-piperidyl)ethyl)benzanilide hydrochloride" RELATED [ChemIDplus:] synonym: "4-methoxy-N-{2-[2-(1-methylpiperidin-2-yl)ethyl]phenyl}benzamide hydrochloride" RELATED [IUPAC:] synonym: "2-(2-{2-[(4-methoxybenzoyl)amino]phenyl}ethyl)-1-methylpiperidinium chloride" EXACT IUPAC_NAME [IUPAC:] synonym: "encainide HCl" RELATED [ChemIDplus:] synonym: "(+-)-2'-(2-(1-methyl-2-piperidyl)ethyl)-p-anisanilide monohydrochloride" RELATED [ChemIDplus:] synonym: "C22H29ClN2O2" RELATED FORMULA [ChEBI:] synonym: "Cl.COc1ccc(cc1)C(=O)Nc1ccccc1CCC1CCCCN1C" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C22H28N2O2.ClH/c1-24-16-6-5-8-19(24)13-10-17-7-3-4-9-21(17)23-22(25)18-11-14-20(26-2)15-12-18;/h3-4,7,9,11-12,14-15,19H,5-6,8,10,13,16H2,1-2H3,(H,23,25);1H" RELATED InChI [ChEBI:] synonym: "InChIKey=OJIIZIWOLTYOBS-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: Beilstein:6360008 "Beilstein Registry Number" xref: DrugBank:DB01228 "DrugBank" xref: KEGG DRUG:D03991 "KEGG DRUG" xref: KEGG DRUG:66794-74-9 "CAS Registry Number" xref: ChemIDplus:66794-74-9 "CAS Registry Number" is_a: CHEBI:36807 relationship: has_part CHEBI:4788 relationship: has_role CHEBI:38070 [Term] id: CHEBI:310388 name: ciprofloxacin hydrochloride (anhydrous) alt_id: CHEBI:34641 alt_id: CHEBI:271495 def: "The anhydrous form of the monohydrochloride salt of ciprofloxacin." [] synonym: "ciprofloxacin HCl" RELATED [ChEBI:] synonym: "1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl)-3-quinolinecarboxylic acid hydrochloride" RELATED [ChEBI:] synonym: "4-(3-Carboxy-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydro-quinolin-7-yl)-piperazin-1-ium; chloride" RELATED [ChEMBL:] synonym: "1-cyclopropyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-1,4-dihydroquinoline-3-carboxylic acid hydrochloride" EXACT IUPAC_NAME [IUPAC:] synonym: "ciprofloxacin hydrochloride (anh.)" RELATED [ChEBI:] synonym: "1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl)-3-quinolinecarboxylic acid HCl" RELATED [ChemIDplus:] synonym: "1-Cyclopropyl-6-fluoro-4-oxo-7-piperazin-1-yl-1,4-dihydro-quinoline-3-carboxylic acid; hydrochloride" RELATED [ChEMBL:] synonym: "CIPROFLOXACIN HYDROCHLORIDE" RELATED [ChEMBL:] synonym: "C17H19ClFN3O3" RELATED FORMULA [ChEBI:] synonym: "Cl.OC(=O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C17H18FN3O3.ClH/c18-13-7-11-14(8-15(13)20-5-3-19-4-6-20)21(10-1-2-10)9-12(16(11)22)17(23)24;/h7-10,19H,1-6H2,(H,23,24);1H" RELATED InChI [ChEBI:] synonym: "InChIKey=DIOIOSKKIYDRIQ-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: DrugBank:DB00537 "DrugBank" xref: ChemIDplus:86483-48-9 "CAS Registry Number" xref: Beilstein:4627629 "Beilstein Registry Number" is_a: CHEBI:36807 relationship: has_part CHEBI:100241 relationship: has_role CHEBI:50750 relationship: has_role CHEBI:36047 relationship: has_role CHEBI:53559 relationship: has_role CHEBI:35441 [Term] id: CHEBI:59936 name: ciprofloxacin hydrochloride hydrate def: "The monohydrate form of ciprofloxacin monohydrochloride." [] synonym: "1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl)-3-quinolinecarboxylic acid hydrochloride hydrate" RELATED [ChEBI:] synonym: "ciprofloxacin hydrochloride monohydrate" RELATED [ChEBI:] synonym: "ciprofloxacin hydrochloride" RELATED [ChemIDplus:] synonym: "ciprofloxacin monohydrochloride monohydrate" RELATED [ChEBI:] synonym: "1-cyclopropyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-1,4-dihydroquinoline-3-carboxylic acid hydrochloride--water (1/1)" EXACT IUPAC_NAME [IUPAC:] synonym: "1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl)-3-quinolinecarboxylic acid hydrochloride monohydrate" RELATED [ChEBI:] synonym: "C17H21ClFN3O4" RELATED FORMULA [ChEBI:] synonym: "O.Cl.OC(=O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C17H18FN3O3.ClH.H2O/c18-13-7-11-14(8-15(13)20-5-3-19-4-6-20)21(10-1-2-10)9-12(16(11)22)17(23)24;;/h7-10,19H,1-6H2,(H,23,24);1H;1H2" RELATED InChI [ChEBI:] synonym: "InChIKey=ARPUHYJMCVWYCZ-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: KEGG DRUG:86393-32-0 "CAS Registry Number" xref: ChemIDplus:86393-32-0 "CAS Registry Number" xref: KEGG DRUG:D02216 "KEGG DRUG" xref: DrugBank:DB00537 "DrugBank" xref: KEGG COMPOUND:C13993 "KEGG COMPOUND" is_a: CHEBI:35505 relationship: has_part CHEBI:310388 relationship: has_role CHEBI:50750 relationship: has_role CHEBI:36047 relationship: has_role CHEBI:53559 relationship: has_role CHEBI:35441 [Term] id: CHEBI:59938 name: ciprofloxacin dihydrochloride def: "The dihydrochloride salt of ciprofloxacin." [] synonym: "1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl)-3-quinolinecarboxylic acid dihydrochloride" RELATED [ChEBI:] synonym: "1-cyclopropyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-1,4-dihydroquinoline-3-carboxylic acid dihydrochloride" EXACT IUPAC_NAME [IUPAC:] synonym: "C17H20Cl2FN3O3" RELATED FORMULA [ChEBI:] synonym: "Cl.Cl.OC(=O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C17H18FN3O3.2ClH/c18-13-7-11-14(8-15(13)20-5-3-19-4-6-20)21(10-1-2-10)9-12(16(11)22)17(23)24;;/h7-10,19H,1-6H2,(H,23,24);2*1H" RELATED InChI [ChEBI:] synonym: "InChIKey=PWRKLYZVCZMDTC-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] is_a: CHEBI:36807 relationship: has_part CHEBI:310388 relationship: has_role CHEBI:50750 relationship: has_role CHEBI:36047 relationship: has_role CHEBI:53559 relationship: has_role CHEBI:35441 [Term] id: CHEBI:613010 name: cocaine hydrochloride def: "The hydrochloride salt of cocaine. It is a local anesthetic and vasoconstrictor and is clinically used for that purpose, particularly in the eye, ear, nose, and throat. It also has powerful central nervous system effects similar to the amphetamines and is a drug of abuse." [] synonym: "Cocain-chlorhydrat" RELATED [ChemIDplus:] synonym: "Cocaine HCl" RELATED [ChemIDplus:] synonym: "l-Cocaine hydrochloride" RELATED [ChemIDplus:] synonym: "Cocaine chloride" RELATED [ChemIDplus:] synonym: "Cocaine muriate" RELATED [ChemIDplus:] synonym: "(1R,2R,3S,5S)-3-(benzoyloxy)-2-(methoxycarbonyl)-8-methyl-8-azoniabicyclo[3.2.1]octane chloride" EXACT IUPAC_NAME [IUPAC:] synonym: "C17H22ClNO4" RELATED FORMULA [ChEBI:] synonym: "C17H21NO4.HCl" RELATED FORMULA [ChEBI:] synonym: "[Cl-].[H][C@]12CC[C@]([H])([C@H]([C@H](C1)OC(=O)c1ccccc1)C(=O)OC)[NH+]2C" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C17H21NO4.ClH/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11;/h3-7,12-15H,8-10H2,1-2H3;1H/t12-,13+,14-,15+;/m0./s1" RELATED InChI [ChEBI:] synonym: "InChIKey=PIQVDUKEQYOJNR-VZXSFKIWSA-N" RELATED InChIKey [ChEBI:] xref: Beilstein:4302866 "Beilstein Registry Number" xref: Gmelin:188889 "Gmelin Registry Number" xref: DrugBank:DB00907 "DrugBank" xref: KEGG DRUG:D02182 "KEGG DRUG" xref: KEGG DRUG:53-21-4 "CAS Registry Number" xref: ChemIDplus:53-21-4 "CAS Registry Number" is_a: CHEBI:36807 relationship: has_part CHEBI:60056 relationship: has_role CHEBI:36333 relationship: has_role CHEBI:35337 [Term] id: CHEBI:4857 name: esmolol hydrochloride def: "The hydrochloride salt of esmolol. A cardioselective and short-acting beta1 receptor blocker with rapid onset but lacking intrinsic sympathomimetic and membrane-stabilising properties, it is used in the management of supraventricular arrhythmias, and for the control of hypertension and tachycardia during surgery." [] synonym: "methyl p-(2-hydroxy-3-(isopropylamino)propoxy)hydrocinnamate hydrochloride" RELATED [ChEBI:] synonym: "(+-)-methyl p-(2-hydroxy-3-(isopropylamino)propoxy)hydrocinnamate hydrochloride" RELATED [ChemIDplus:] synonym: "methyl 3-{4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl}propanoate hydrochloride" RELATED [IUPAC:] synonym: "(+-)-esmolol hydrochloride" RELATED [ChEBI:] synonym: "4-(2-hydroxy-3-((1-methylethyl)amino)propoxy)benzenepropanoic acid methyl ester HCl" RELATED [ChemIDplus:] synonym: "4-(2-hydroxy-3-((1-methylethyl)amino)propoxy)benzenepropanoic acid methyl ester hydrochloride" RELATED [ChEBI:] synonym: "2-hydroxy-3-[4-(3-methoxy-3-oxopropyl)phenoxy]-N-(propan-2-yl)propan-1-aminium chloride" EXACT IUPAC_NAME [IUPAC:] synonym: "esmolol HCl" RELATED [ChemIDplus:] synonym: "C16H26ClNO4" RELATED FORMULA [ChEBI:] synonym: "[Cl-].COC(=O)CCc1ccc(OCC(O)C[NH2+]C(C)C)cc1" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C16H25NO4.ClH/c1-12(2)17-10-14(18)11-21-15-7-4-13(5-8-15)6-9-16(19)20-3;/h4-5,7-8,12,14,17-18H,6,9-11H2,1-3H3;1H" RELATED InChI [ChEBI:] synonym: "InChIKey=GEKNCWBANDDJJL-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: Beilstein:5185568 "Beilstein Registry Number" xref: KEGG DRUG:81161-17-3 "CAS Registry Number" xref: DrugBank:DB00187 "DrugBank" xref: CiteXplore:1642945 "PubMed citation" xref: ChemIDplus:81161-17-3 "CAS Registry Number" xref: KEGG DRUG:D00644 "KEGG DRUG" is_a: CHEBI:36807 relationship: has_part CHEBI:4856 relationship: has_role CHEBI:38070 relationship: has_role CHEBI:35530 [Term] id: CHEBI:4878 name: ethambutol dihydrochloride def: "The dihydrchloride salt of ethambutol. A bacteriostatic antimycobacterial drug, it is effective against Mycobacterium tuberculosis and some other mycobacteria. It is used in combination with other antituberculous drugs in the treatment of pulmonary and extrapulmonary tuberculosis; resistant strains of M. tuberculosis are readily produced if ethambutol dihydrochloride is used alone." [] synonym: "(+)-2,2'-(ethylenediimino)-di-1-butanol dihydrochloride" RELATED [ChemIDplus:] synonym: "ethambutol hydrochloride" RELATED [ChemIDplus:] synonym: "N,N'-bis[(2S)-1-hydroxybutan-2-yl]ethane-1,2-diaminium dichloride" EXACT IUPAC_NAME [IUPAC:] synonym: "ethambutol HCl" RELATED [ChemIDplus:] synonym: "(+)-2,2'-(ethylenediimino)di-1-butanol dihydrochloride" RELATED [ChEBI:] synonym: "(2S,2'E)-2,2'-(ethane-1,2-diyldiimino)dibutan-1-ol dihydrochloride" RELATED [IUPAC:] synonym: "(+)-ethambutol dihydrochloride" RELATED [ChEBI:] synonym: "(+)-(S,S)-ethambutol dihydrochloride" RELATED [ChEBI:] synonym: "(+)-N,N'-bis(1-(hydroxymethyl)propyl)ethylenediamine dihydrochloride" RELATED [ChEBI:] synonym: "C10H26Cl2N2O2" RELATED FORMULA [ChEBI:] synonym: "[Cl-].[Cl-].CC[C@@H](CO)[NH2+]CC[NH2+][C@@H](CC)CO" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C10H24N2O2.2ClH/c1-3-9(7-13)11-5-6-12-10(4-2)8-14;;/h9-14H,3-8H2,1-2H3;2*1H/t9-,10-;;/m0../s1" RELATED InChI [ChEBI:] synonym: "InChIKey=AUAHHJJRFHRVPV-BZDVOYDHSA-N" RELATED InChIKey [ChEBI:] xref: Beilstein:6317056 "Beilstein Registry Number" xref: ChemIDplus:1070-11-7 "CAS Registry Number" xref: KEGG DRUG:1070-11-7 "CAS Registry Number" xref: DrugBank:DB00330 "DrugBank" xref: KEGG DRUG:D00878 "KEGG DRUG" is_a: CHEBI:36807 relationship: has_part CHEBI:4877 relationship: has_role CHEBI:33231 [Term] id: CHEBI:31568 name: profenamine hydrochloride def: "The monohydrochloride salt of profenamine. An antimuscarinic, it is used for the symptomatic treatment of Parkinson's disease." [] synonym: "N,N-diethyl-alpha-methyl-10H-phenothiazine-10-ethylamine monohydrochloride" RELATED [ChemIDplus:] synonym: "ethopropazine hydrochloride" RELATED [ChemIDplus:] synonym: "profenamine HCl" RELATED [ChEBI:] synonym: "ethopropazine HCl" RELATED [ChemIDplus:] synonym: "profenamine monohydrochloride" RELATED [ChemIDplus:] synonym: "ethopropazine monohydrochloride" RELATED [ChEBI:] synonym: "10-(2-(diethylamino)propyl)phenothiazine monohydrochloride" RELATED [ChemIDplus:] synonym: "N,N-diethyl-alpha-methyl-10H-phenothiazine-10-ethylamine hydrochloride" RELATED [ChEBI:] synonym: "N,N-diethyl-1-(10H-phenothiazin-10-yl)propan-2-amine hydrochloride" EXACT IUPAC_NAME [IUPAC:] synonym: "C19H25ClN2S" RELATED FORMULA [ChEBI:] synonym: "Cl.CCN(CC)C(C)CN1c2ccccc2Sc2ccccc12" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C19H24N2S.ClH/c1-4-20(5-2)15(3)14-21-16-10-6-8-12-18(16)22-19-13-9-7-11-17(19)21;/h6-13,15H,4-5,14H2,1-3H3;1H" RELATED InChI [ChEBI:] synonym: "InChIKey=VXPCQISYVPFYRK-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: DrugBank:DB00392 "DrugBank" xref: KEGG DRUG:1094-08-2 "CAS Registry Number" xref: ChemIDplus:1094-08-2 "CAS Registry Number" xref: KEGG DRUG:D01118 "KEGG DRUG" is_a: CHEBI:36807 relationship: has_part CHEBI:313639 relationship: has_role CHEBI:37887 relationship: has_role CHEBI:37956 relationship: has_role CHEBI:48407 relationship: has_role CHEBI:48876 [Term] id: CHEBI:31672 name: hydralazine hydrochloride def: "The hydrochloride salt of hydralazine; a direct-acting vasodilator that is used as an antihypertensive agent." [] synonym: "1-Hydrazinophthalazine monohydrochloride" RELATED [ChemIDplus:] synonym: "1(2H)-Phthalazinone hydrazone hydrochloride" RELATED [ChemIDplus:] synonym: "Hydralazine chloride" RELATED [ChemIDplus:] synonym: "Hydralazine HCl" RELATED [ChemIDplus:] synonym: "1-Hydrazinophthalazine hydrochloride" RELATED [ChemIDplus:] synonym: "1-hydrazinophthalazine hydrochloride" EXACT IUPAC_NAME [IUPAC:] synonym: "Hydralazine monohydrochloride" RELATED [ChemIDplus:] synonym: "Phthalazinone hydrazone monohydrochloride" RELATED [ChemIDplus:] synonym: "C8H9ClN4" RELATED FORMULA [ChEBI:] synonym: "C8H8N4.HCl" RELATED FORMULA [KEGG DRUG:] synonym: "Cl.NNc1nncc2ccccc12" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C8H8N4.ClH/c9-11-8-7-4-2-1-3-6(7)5-10-12-8;/h1-5H,9H2,(H,11,12);1H" RELATED InChI [ChEBI:] synonym: "InChIKey=ZUXNZUWOTSUBMN-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: KEGG DRUG:D01302 "KEGG DRUG" xref: ChemIDplus:304-20-1 "CAS Registry Number" xref: DrugBank:DB01275 "DrugBank" xref: Beilstein:3568329 "Beilstein Registry Number" xref: KEGG DRUG:304-20-1 "CAS Registry Number" xref: CiteXplore:808562 "PubMed citation" xref: Gmelin:87597 "Gmelin Registry Number" is_a: CHEBI:36807 relationship: has_part CHEBI:5775 relationship: has_role CHEBI:35620 relationship: has_role CHEBI:35674 [Term] id: CHEBI:5089 name: flavoxate hydrochloride def: "The hydrochloride salt of flavoxate." [] synonym: "Urispas" RELATED BRAND_NAME [KEGG DRUG:] synonym: "flavoxate HCl" RELATED [ChemIDplus:] synonym: "2-(piperidin-1-yl)ethyl 3-methyl-4-oxo-2-phenyl-4H-chromene-8-carboxylate hydrochloride" RELATED [IUPAC:] synonym: "2-piperidinoethyl 3-methyl-4-oxo-2-phenyl-4H-1-benzopyran-8-carboxylate hydrochloride" RELATED [ChemIDplus:] synonym: "1-(2-{[(3-methyl-4-oxo-2-phenyl-4H-chromen-8-yl)carbonyl]oxy}ethyl)piperidinium chloride" EXACT IUPAC_NAME [IUPAC:] synonym: "C24H26ClNO4" RELATED FORMULA [ChEBI:] synonym: "Cl.Cc1c(oc2c(cccc2c1=O)C(=O)OCCN1CCCCC1)-c1ccccc1" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C24H25NO4.ClH/c1-17-21(26)19-11-8-12-20(23(19)29-22(17)18-9-4-2-5-10-18)24(27)28-16-15-25-13-6-3-7-14-25;/h2,4-5,8-12H,3,6-7,13-16H2,1H3;1H" RELATED InChI [ChEBI:] synonym: "InChIKey=XOEVKNFZUQEERE-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: DrugBank:DB01148 "DrugBank" xref: KEGG DRUG:D00718 "KEGG DRUG" xref: CiteXplore:5163920 "PubMed citation" xref: ChemIDplus:3717-88-2 "CAS Registry Number" xref: CiteXplore:3350206 "PubMed citation" xref: CiteXplore:21042486 "PubMed citation" xref: Reaxys:6258688 "Reaxys Registry Number" xref: KEGG DRUG:3717-88-2 "CAS Registry Number" xref: CiteXplore:2461883 "PubMed citation" xref: CiteXplore:6367811 "PubMed citation" is_a: CHEBI:36807 relationship: has_role CHEBI:48876 relationship: has_role CHEBI:53784 relationship: has_part CHEBI:61236 relationship: has_role CHEBI:50370 [Term] id: CHEBI:60641 name: methyl 5-aminolevulinate hydrochloride def: "The hydrochloride salt of methyl 5-aminolevulinate. A prodrug, it is metabolised to protoporphyrin IX, a photosensitizer, and is used in the photodynamic treatment of non-melanoma skin cancer (including basal cell carcinoma). Topical application results in an accumulation of protoporphyrin IX in the skin lesions to which the cream has been applied. Subsequent illumination with red light results in the generation of toxic singlet oxygen that destroys cell membranes and thereby kills the tumour cells." [] synonym: "methyl 5-aminolevulinate HCl" RELATED [ChEBI:] synonym: "methyl 5-amino-4-oxovalerate hydrochloride" RELATED [ChemIDplus:] synonym: "methyl 5-amino-4-oxopentanoate hydrochloride" RELATED [IUPAC:] synonym: "methyl aminolevulinate hydrochloride" RELATED [ChemIDplus:] synonym: "methyl 5-amino-4-oxovalerate HCl" RELATED [ChEBI:] synonym: "methyl delta-aminolevulinate hydrochloride" RELATED [ChEBI:] synonym: "methyl delta-aminolevulinate HCl" RELATED [ChEBI:] synonym: "5-methoxy-2,5-dioxopentan-1-aminium chloride" EXACT IUPAC_NAME [IUPAC:] synonym: "methyl aminolevulinate HCl" RELATED [ChemIDplus:] synonym: "C6H12ClNO3" RELATED FORMULA [ChEBI:] synonym: "[Cl-].COC(=O)CCC(=O)C[NH3+]" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C6H11NO3.ClH/c1-10-6(9)3-2-5(8)4-7;/h2-4,7H2,1H3;1H" RELATED InChI [ChEBI:] synonym: "InChIKey=UJYSYPVQHFNBML-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: KEGG DRUG:D04988 "KEGG DRUG" xref: Reaxys:5991317 "Reaxys Registry Number" xref: ChemIDplus:79416-27-6 "CAS Registry Number" is_a: CHEBI:36807 relationship: has_part CHEBI:724125 relationship: has_role CHEBI:35610 relationship: has_role CHEBI:47868 relationship: has_role CHEBI:50266 relationship: has_role CHEBI:50177 [Term] id: CHEBI:6518 name: lomefloxacin hydrochloride def: "The hydrochloride salt of lomefloxacin. It is administered by mouth to treat bacterial infections including bronchitis and urinary tract infections. It is also used topically as eye drops for the treatment of bacterial conjunctivitis, and as ear drops for the treatment of otitis externa and otitis media." [] synonym: "lomefloxacin HCl" RELATED [ChemIDplus:] synonym: "(+-)-1-ethyl-6,8-difluoro-1,4-dihydro-7-(3-methyl-1-piperazinyl)-4-oxo-3-quinolinecarboxylic acid monohydrochloride" RELATED [ChemIDplus:] synonym: "1-ethyl-6,8-difluoro-7-(3-methylpiperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid hydrochloride" EXACT IUPAC_NAME [IUPAC:] synonym: "C17H20ClF2N3O3" RELATED FORMULA [ChEBI:] synonym: "Cl.CCn1cc(C(O)=O)c(=O)c2cc(F)c(N3CCNC(C)C3)c(F)c12" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C17H19F2N3O3.ClH/c1-3-21-8-11(17(24)25)16(23)10-6-12(18)15(13(19)14(10)21)22-5-4-20-9(2)7-22;/h6,8-9,20H,3-5,7H2,1-2H3,(H,24,25);1H" RELATED InChI [ChEBI:] synonym: "InChIKey=KXEBLAPZMOQCKO-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: DrugBank:DB00978 "DrugBank" xref: ChemIDplus:98079-52-8 "CAS Registry Number" xref: Reaxys:7506829 "Reaxys Registry Number" xref: KEGG COMPOUND:C08053 "KEGG COMPOUND" xref: KEGG COMPOUND:98079-52-8 "CAS Registry Number" xref: KEGG DRUG:D00873 "KEGG DRUG" is_a: CHEBI:36807 relationship: has_part CHEBI:116278 relationship: has_role CHEBI:47868 relationship: has_role CHEBI:22582 relationship: has_role CHEBI:33231 [Term] id: CHEBI:652992 name: doxycycline HCl alt_id: CHEBI:435234 def: "The hydrochloride salt of doxycycline." [] synonym: "alpha-6-deoxy-5-hydroxytetracycline hydrochloride" RELATED [ChemIDplus:] synonym: "(1S,4aS,11R,11aR,12S,12aR)-3-carbamoyl-2,4a,5,7,12-pentahydroxy-N,N,11-trimethyl-4,6-dioxo-1,4,4a,6,11,11a,12,12a-octahydrotetracen-1-aminium chloride" RELATED [IUPAC:] synonym: "(4S,4aR,5S,5aR,6R,12aS)-4-(dimethylamino)-3,5,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide hydrochloride" EXACT IUPAC_NAME [IUPAC:] synonym: "6-desoxy-5-hydroxytetracycline hydrochloride" RELATED [ChemIDplus:] synonym: "Doxycycline HCl" EXACT [ChEMBL:] synonym: "C22H25ClN2O8" RELATED FORMULA [ChEBI:] synonym: "[Cl-].[H][C@@]12[C@@H](C)c3cccc(O)c3C(=O)C1=C(O)[C@]1(O)C(=O)C(C(N)=O)=C(O)[C@@H]([NH+](C)C)[C@]1([H])[C@H]2O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C22H24N2O8.ClH/c1-7-8-5-4-6-9(25)11(8)16(26)12-10(7)17(27)14-15(24(2)3)18(28)13(21(23)31)20(30)22(14,32)19(12)29;/h4-7,10,14-15,17,25,27-29,32H,1-3H3,(H2,23,31);1H/t7-,10+,14+,15-,17-,22-;/m0./s1" RELATED InChI [ChEBI:] synonym: "InChIKey=RUYHIJHUVHIMIR-CVHRZJFOSA-N" RELATED InChIKey [ChEBI:] xref: KEGG DRUG:D07877 "KEGG DRUG" xref: Reaxys:5702728 "Reaxys Registry Number" xref: KEGG DRUG:10592-13-9 "CAS Registry Number" xref: ChemIDplus:10592-13-9 "CAS Registry Number" is_a: CHEBI:36807 relationship: has_part CHEBI:50845 [Term] id: CHEBI:34730 name: doxycycline hyclate def: "The hemiethanolate hemihydrate of doxycycline hydrochloride. A semi-synthetic tetracycline antibiotic, it is used to inhibit bacterial protein synthesis and treat non-gonococcal urethritis and cervicitis, exacerbations of bronchitis in patients with chronic obstructive pulmonary disease (COPD), and adult periodontitis." [] synonym: "(1S,4aS,11R,11aR,12S,12aR)-3-carbamoyl-2,4a,5,7,12-pentahydroxy-N,N,11-trimethyl-4,6-dioxo-1,4,4a,6,11,11a,12,12a-octahydrotetracen-1-aminium chloride--ethanol--water (2/1/1)" RELATED [IUPAC:] synonym: "doxycycline hydrochloride hemiethanolate hemihydrate" RELATED [KEGG DRUG:] synonym: "6-deoxy-5-hydroxytetracycline hydrochloride hemihydrate" RELATED [ChemIDplus:] synonym: "C46H58Cl2N4O18" RELATED FORMULA [ChEBI:] synonym: "O.[Cl-].[Cl-].CCO.[H][C@@]12[C@@H](C)c3cccc(O)c3C(=O)C1=C(O)[C@]1(O)C(=O)C(C(N)=O)=C(O)[C@@H]([NH+](C)C)[C@]1([H])[C@H]2O.[H][C@@]12[C@@H](C)c3cccc(O)c3C(=O)C1=C(O)[C@]1(O)C(=O)C(C(N)=O)=C(O)[C@@H]([NH+](C)C)[C@]1([H])[C@H]2O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/2C22H24N2O8.C2H6O.2ClH.H2O/c2*1-7-8-5-4-6-9(25)11(8)16(26)12-10(7)17(27)14-15(24(2)3)18(28)13(21(23)31)20(30)22(14,32)19(12)29;1-2-3;;;/h2*4-7,10,14-15,17,25,27-29,32H,1-3H3,(H2,23,31);3H,2H2,1H3;2*1H;1H2/t2*7-,10+,14+,15-,17-,22-;;;;/m00..../s1" RELATED InChI [ChEBI:] synonym: "InChIKey=HALQELOKLVRWRI-VDBOFHIQSA-N" RELATED InChIKey [ChEBI:] xref: DrugBank:DB00254 "DrugBank" xref: KEGG DRUG:24390-14-5 "CAS Registry Number" xref: Reaxys:14669767 "Reaxys Registry Number" xref: KEGG DRUG:D02129 "KEGG DRUG" is_a: CHEBI:35505 relationship: has_part CHEBI:652992 relationship: has_part CHEBI:16236 relationship: has_role CHEBI:36047 [Term] id: CHEBI:31322 name: bupivacaine hydrochloride (anhydrous) def: "The hydrochloride salt of bupivacaine. The monohydrate form is commonly used as a local anaesthetic." [] synonym: "1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide hydrochloride" RELATED [IUPAC:] synonym: "bupivacaine hydrochloride" RELATED [ChemIDplus:] synonym: "bupivacaine monohydrochloride" RELATED [ChEBI:] synonym: "bupivacaine HCl" RELATED [ChemIDplus:] synonym: "1-butyl-2-piperidylformo-2',6'-xylidide hydrochloride" RELATED [ChEBI:] synonym: "1-butyl-N-(2,6-dimethylphenyl)-2-piperidinecarboxamide monohydrochloride" RELATED [ChemIDplus:] synonym: "1-butyl-2-[(2,6-dimethylphenyl)carbamoyl]piperidinium chloride" EXACT IUPAC_NAME [IUPAC:] synonym: "C18H29ClN2O" RELATED FORMULA [ChEBI:] synonym: "[Cl-].CCCC[NH+]1CCCCC1C(=O)Nc1c(C)cccc1C" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C18H28N2O.ClH/c1-4-5-12-20-13-7-6-11-16(20)18(21)19-17-14(2)9-8-10-15(17)3;/h8-10,16H,4-7,11-13H2,1-3H3,(H,19,21);1H" RELATED InChI [ChEBI:] synonym: "InChIKey=SIEYLFHKZGLBNX-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: ChemIDplus:18010-40-7 "CAS Registry Number" xref: Reaxys:4048737 "Reaxys Registry Number" is_a: CHEBI:46850 is_a: CHEBI:36807 relationship: has_part CHEBI:3215 [Term] id: CHEBI:60789 name: bupivacaine hydrochloride monohydrate def: "The monohydrate form of bupivacaine hydrochloride. A piperidinecarboxamide-based local anaesthetic, it has a slow onset and long duration of action." [] synonym: "bupivacaine monohydrochloride monohydrate" RELATED [ChEBI:] synonym: "1-butyl-2-[(2,6-dimethylphenyl)carbamoyl]piperidinium chloride--water (1/1)" EXACT IUPAC_NAME [IUPAC:] synonym: "Sensorcaine" RELATED BRAND_NAME [ChEBI:] synonym: "bupivacaine hydrochloride" RELATED [ChemIDplus:] synonym: "1-butyl-2',6'-pipecoloxylidide monohydrochloride monohydrate" RELATED [ChEBI:] synonym: "1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide hydrochloride hydrate" RELATED [ChEBI:] synonym: "bupivacaine hydrochloride hydrate" RELATED [ChEBI:] synonym: "Marcaine" RELATED BRAND_NAME [ChEBI:] synonym: "C18H31ClN2O2" RELATED FORMULA [ChEBI:] synonym: "O.[Cl-].CCCC[NH+]1CCCCC1C(=O)Nc1c(C)cccc1C" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C18H28N2O.ClH.H2O/c1-4-5-12-20-13-7-6-11-16(20)18(21)19-17-14(2)9-8-10-15(17)3;;/h8-10,16H,4-7,11-13H2,1-3H3,(H,19,21);1H;1H2" RELATED InChI [ChEBI:] synonym: "InChIKey=HUCIWBPMHXGLFM-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: ChemIDplus:14252-80-3 "CAS Registry Number" xref: DrugBank:DB00297 "DrugBank" xref: KEGG DRUG:D01450 "KEGG DRUG" xref: Reaxys:13856665 "Reaxys Registry Number" is_a: CHEBI:35505 relationship: has_part CHEBI:31322 relationship: has_role CHEBI:36333 [Term] id: CHEBI:31772 name: levobupivacaine hydrochloride def: "The monohydrochloride salt of levobupivacaine." [] synonym: "Chirocaine" RELATED BRAND_NAME [ChEBI:] synonym: "(S)-1-butyl-2',6'-pipecoloxylidide hydrochloride" RELATED [ChEBI:] synonym: "levobupivacaine monohydrochloride" RELATED [ChEBI:] synonym: "(-)-bupivacaine hydrochloride" RELATED [ChEBI:] synonym: "(2S)-1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide hydrochloride" RELATED [IUPAC:] synonym: "levobupivacaine HCl" RELATED [ChemIDplus:] synonym: "(2S)-1-butyl-2-[(2,6-dimethylphenyl)carbamoyl]piperidinium chloride" EXACT IUPAC_NAME [IUPAC:] synonym: "(S)-1-butyl-2',6'-pipecoloxylidide monohydrochloride" RELATED [COMe:] synonym: "C18H29ClN2O" RELATED FORMULA [ChEBI:] synonym: "[Cl-].CCCC[NH+]1CCCC[C@H]1C(=O)Nc1c(C)cccc1C" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C18H28N2O.ClH/c1-4-5-12-20-13-7-6-11-16(20)18(21)19-17-14(2)9-8-10-15(17)3;/h8-10,16H,4-7,11-13H2,1-3H3,(H,19,21);1H/t16-;/m0./s1" RELATED InChI [ChEBI:] synonym: "InChIKey=SIEYLFHKZGLBNX-NTISSMGPSA-N" RELATED InChIKey [ChEBI:] xref: KEGG DRUG:27262-48-2 "CAS Registry Number" xref: KEGG DRUG:D01287 "KEGG DRUG" xref: DrugBank:DB01002 "DrugBank" xref: Reaxys:8879953 "Reaxys Registry Number" xref: ChemIDplus:27262-48-2 "CAS Registry Number" is_a: CHEBI:31322 relationship: has_part CHEBI:6149 relationship: has_role CHEBI:36333 [Term] id: CHEBI:32053 name: prilocaine hydrochloride def: "The monohydrochloride salt of prilocaine." [] synonym: "propitocaine hydrochloride" RELATED [KEGG DRUG:] synonym: "Citanest" RELATED BRAND_NAME [KEGG DRUG:] synonym: "alpha-propylamine-2-methyl-propionanilide hydrochloride" RELATED [ChemIDplus:] synonym: "prilocaine HCl" RELATED [ChemIDplus:] synonym: "Xylonest" RELATED BRAND_NAME [ChEBI:] synonym: "N-{1-[(2-methylphenyl)amino]-1-oxopropan-2-yl}propan-1-aminium chloride" EXACT IUPAC_NAME [IUPAC:] synonym: "propitocaine hydrochloride" RELATED [ChemIDplus:] synonym: "2-(propylamino)-o-propionotoluidide hydrochloride" RELATED [ChemIDplus:] synonym: "N-(2-methylphenyl)-N(2)-propylalaninamide hydrochloride" EXACT IUPAC_NAME [IUPAC:] synonym: "2-(propylamino)-o-propionotoluidide monohydrochloride" RELATED [ChemIDplus:] synonym: "C13H21ClN2O" RELATED FORMULA [ChEBI:] synonym: "[Cl-].CCC[NH2+]C(C)C(=O)Nc1ccccc1C" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C13H20N2O.ClH/c1-4-9-14-11(3)13(16)15-12-8-6-5-7-10(12)2;/h5-8,11,14H,4,9H2,1-3H3,(H,15,16);1H" RELATED InChI [ChEBI:] synonym: "InChIKey=BJPJNTKRKALCPP-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: CiteXplore:20031290 "PubMed citation" xref: CiteXplore:5726750 "PubMed citation" xref: CiteXplore:21668284 "PubMed citation" xref: CiteXplore:17583875 "PubMed citation" xref: CiteXplore:5219010 "PubMed citation" xref: ChemIDplus:1786-81-8 "CAS Registry Number" xref: CiteXplore:21369439 "PubMed citation" xref: CiteXplore:18331309 "PubMed citation" xref: Patent:US2009036539 "Patent" xref: CiteXplore:20835569 "PubMed citation" xref: Reaxys:6541935 "Reaxys Registry Number" xref: KEGG DRUG:D01243 "KEGG DRUG" xref: KEGG DRUG:1786-81-8 "CAS Registry Number" is_a: CHEBI:36807 relationship: has_part CHEBI:8404 relationship: has_role CHEBI:36333 [Term] id: CHEBI:31260 name: oxybuprocaine hydrochloride def: "The monohydrochloride salt of oxybuprocaine." [] synonym: "benoxinate HCl" RELATED [ChemIDplus:] synonym: "2-[(4-amino-3-butoxybenzoyl)oxy]-N,N-diethylethanaminium chloride" EXACT IUPAC_NAME [IUPAC:] synonym: "Conjuncain" RELATED BRAND_NAME [DrugBank:] synonym: "Novesine" RELATED BRAND_NAME [DrugBank:] synonym: "Novesina" RELATED BRAND_NAME [DrugBank:] synonym: "oxybuprocaine HCl" RELATED [ChEBI:] synonym: "2-(diethylamino)ethyl 4-amino-3-butoxybenzoate hydrochloride" EXACT IUPAC_NAME [IUPAC:] synonym: "Cebesine" RELATED BRAND_NAME [DrugBank:] synonym: "benoxinate monohydrochloride" RELATED [ChEBI:] synonym: "Lacrimin" RELATED BRAND_NAME [DrugBank:] synonym: "Novesin" RELATED BRAND_NAME [DrugBank:] synonym: "oxybuprocaine monohydrochloride" RELATED [ChEBI:] synonym: "Benoxil" RELATED BRAND_NAME [DrugBank:] synonym: "C17H29ClN2O3" RELATED FORMULA [ChEBI:] synonym: "[Cl-].CCCCOc1cc(ccc1N)C(=O)OCC[NH+](CC)CC" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C17H28N2O3.ClH/c1-4-7-11-21-16-13-14(8-9-15(16)18)17(20)22-12-10-19(5-2)6-3;/h8-9,13H,4-7,10-12,18H2,1-3H3;1H" RELATED InChI [ChEBI:] synonym: "InChIKey=PRGUDWLMFLCODA-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: DrugBank:DB00892 "DrugBank" xref: ChemIDplus:5987-82-6 "CAS Registry Number" xref: Reaxys:3748200 "Reaxys Registry Number" xref: KEGG DRUG:5987-82-6 "CAS Registry Number" xref: KEGG DRUG:D01768 "KEGG DRUG" is_a: CHEBI:36807 relationship: has_part CHEBI:309594 relationship: has_role CHEBI:36333 [Term] id: CHEBI:650657 name: ketamine hydrochloride alt_id: CHEBI:138629 alt_id: CHEBI:6122 def: "The hydrochloride salt of ketamine." [] synonym: "(+-)-ketamine hydrochloride" RELATED [ChemIDplus:] synonym: "2-(o-chlorophenyl)-2-(methylamino)cyclohexanone hydrochloride" RELATED [ChEBI:] synonym: "(+-)-2-(o-chlorophenyl)-2-(methylamino)cyclohexanone hydrochloride" RELATED [ChemIDplus:] synonym: "2-(2-chlorophenyl)-2-(methylamino)cyclohexanone hydrochloride" EXACT IUPAC_NAME [IUPAC:] synonym: "1-(2-chlorophenyl)-N-methyl-2-oxocyclohexanaminium chloride" EXACT IUPAC_NAME [IUPAC:] synonym: "Ketaject" RELATED BRAND_NAME [DrugBank:] synonym: "ketamine HCl" RELATED [ChemIDplus:] synonym: "Ketanest" RELATED BRAND_NAME [DrugBank:] synonym: "Ketalar" RELATED BRAND_NAME [DrugBank:] synonym: "CL-369" RELATED [ChEMBL:] synonym: "CN-52372-2" RELATED [ChEMBL:] synonym: "KETAMINE HYDROCHLORIDE" EXACT [ChEMBL:] synonym: "CI-581" RELATED [ChEMBL:] synonym: "C13H17Cl2NO" RELATED FORMULA [ChEBI:] synonym: "[Cl-].C[NH2+]C1(CCCCC1=O)c1ccccc1Cl" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C13H16ClNO.ClH/c1-15-13(9-5-4-8-12(13)16)10-6-2-3-7-11(10)14;/h2-3,6-7,15H,4-5,8-9H2,1H3;1H" RELATED InChI [ChEBI:] synonym: "InChIKey=VCMGMSHEPQENPE-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: KEGG DRUG:1867-66-9 "CAS Registry Number" xref: KEGG DRUG:D00711 "KEGG DRUG" xref: DrugBank:DB01221 "DrugBank" xref: ChemIDplus:1867-66-9 "CAS Registry Number" xref: Reaxys:5318526 "Reaxys Registry Number" is_a: CHEBI:36807 relationship: has_part CHEBI:6121 relationship: has_role CHEBI:35480 relationship: has_role CHEBI:60797 relationship: has_role CHEBI:38877 [Term] id: CHEBI:60800 name: esketamine hydrochloride def: "The hydrochloride salt of esketamine." [] synonym: "esketamine HCl" RELATED [ChEBI:] synonym: "(2S)-2-(2-chlorophenyl)-2-(methylamino)cyclohexanone hydrochloride" EXACT IUPAC_NAME [IUPAC:] synonym: "(S)-(+)-ketamine hydrochloride" RELATED [ChEBI:] synonym: "(1S)-1-(2-chlorophenyl)-N-methyl-2-oxocyclohexanaminium chloride" EXACT IUPAC_NAME [IUPAC:] synonym: "(S)-2-(o-chlorophenyl)-2-(methylamino)cyclohexanone hydrochloride" RELATED [ChEBI:] synonym: "(S)-2-(o-chlorophenyl)-2-(methylamino)cyclohexanone HCl" RELATED [ChEBI:] synonym: "Ketanest S" RELATED BRAND_NAME [ChEBI:] synonym: "(S)-ketamine hydrochloride" RELATED [ChEBI:] synonym: "(S)-ketamine HCl" RELATED [ChEBI:] synonym: "C13H17Cl2NO" RELATED FORMULA [ChEBI:] synonym: "[Cl-].C[NH2+][C@@]1(CCCCC1=O)c1ccccc1Cl" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C13H16ClNO.ClH/c1-15-13(9-5-4-8-12(13)16)10-6-2-3-7-11(10)14;/h2-3,6-7,15H,4-5,8-9H2,1H3;1H/t13-;/m0./s1" RELATED InChI [ChEBI:] synonym: "InChIKey=VCMGMSHEPQENPE-ZOWNYOTGSA-N" RELATED InChIKey [ChEBI:] xref: Reaxys:4279015 "Reaxys Registry Number" xref: DrugBank:DB01221 "DrugBank" is_a: CHEBI:650657 relationship: has_part CHEBI:60799 relationship: has_role CHEBI:38877 relationship: has_role CHEBI:60797 relationship: has_role CHEBI:35480 [Term] id: CHEBI:60803 name: (S)-ropivacaine hydrochloride (anhydrous) def: "The anhydrous form of (S)-ropivacaine hydrochloride." [] synonym: "L-N-n-propylpipecolic acid-2,6-xylidide hydrochloride" RELATED [ChEBI:] synonym: "(S)-1-propyl-2-piperidylformo-2',6'-xylidide hydrochloride" RELATED [ChEBI:] synonym: "(2S)-2-[(2,6-dimethylphenyl)carbamoyl]-1-propylpiperidinium chloride" EXACT IUPAC_NAME [IUPAC:] synonym: "L-ropivacaine HCl" RELATED [ChEBI:] synonym: "(2S)-N-(2,6-dimethylphenyl)-1-propylpiperidine-2-carboxamide hydrochloride" EXACT IUPAC_NAME [IUPAC:] synonym: "(S)-ropivacaine HCl" RELATED [ChEBI:] synonym: "(S)-(--)-1-propyl-2',6'-pipecoloxylidide hydrochloride" RELATED [ChEBI:] synonym: "L-ropivacaine hydrochloride" RELATED [ChEBI:] synonym: "ropivacaine monohydrochloride" RELATED [ChemIDplus:] synonym: "(S)-ropivacaine monohydrochloride (anhydrous)" RELATED [ChEBI:] synonym: "ropivacaine HCl" RELATED [ChemIDplus:] synonym: "ropivacaine hydrochloride" RELATED [ChemIDplus:] synonym: "C17H27ClN2O" RELATED FORMULA [ChEBI:] synonym: "[Cl-].CCC[NH+]1CCCC[C@H]1C(=O)Nc1c(C)cccc1C" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C17H26N2O.ClH/c1-4-11-19-12-6-5-10-15(19)17(20)18-16-13(2)8-7-9-14(16)3;/h7-9,15H,4-6,10-12H2,1-3H3,(H,18,20);1H/t15-;/m0./s1" RELATED InChI [ChEBI:] synonym: "InChIKey=NDNSIBYYUOEUSV-RSAXXLAASA-N" RELATED InChIKey [ChEBI:] xref: ChemIDplus:98717-15-8 "CAS Registry Number" xref: Reaxys:6023239 "Reaxys Registry Number" xref: DrugBank:DB00296 "DrugBank" is_a: CHEBI:36807 relationship: has_role CHEBI:36333 relationship: has_part CHEBI:8890 [Term] id: CHEBI:34954 name: (S)-ropivacaine hydrochloride hydrate def: "The monohydrate form of (S)-ropivacaine hydrochloride." [] synonym: "Naropin" RELATED BRAND_NAME [DrugBank:] synonym: "(2S)-2-[(2,6-dimethylphenyl)carbamoyl]-1-propylpiperidinium chloride--water(1/1)" EXACT IUPAC_NAME [IUPAC:] synonym: "(S)-(-)-1-propylpiperidine-2-carboxylic acid (2,6-dimethylphenyl)amide hydrochloride monohydrate" RELATED [ChemIDplus:] synonym: "(S)-(-)-1-propyl-2',6'-pipecoloxylidine hydrochloride monohydrate" RELATED [ChemIDplus:] synonym: "L-ropivacaine hydrochloride monohydrate" RELATED [ChEBI:] synonym: "(2S)-N-(2,6-dimethylphenyl)-1-propylpiperidine-2-carboxamide hydrochloride--water (1/1)" EXACT IUPAC_NAME [IUPAC:] synonym: "ropivacaine hydrochloride monohydrate" RELATED [ChemIDplus:] synonym: "(S)-ropivacaine hydrochloride monohydrate" RELATED [ChEBI:] synonym: "L-N-(2,6-dimethylphenyl)-1-propyl-2-piperidinocarboxamide hydrochloride monohydrate" RELATED [ChEBI:] synonym: "ropivacaine hydrochloride" RELATED [ChemIDplus:] synonym: "ropivacaine hydrochloride hydrate" RELATED [ChemIDplus:] synonym: "C17H29ClN2O2" RELATED FORMULA [ChEBI:] synonym: "O.[Cl-].CCC[NH+]1CCCC[C@H]1C(=O)Nc1c(C)cccc1C" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C17H26N2O.ClH.H2O/c1-4-11-19-12-6-5-10-15(19)17(20)18-16-13(2)8-7-9-14(16)3;;/h7-9,15H,4-6,10-12H2,1-3H3,(H,18,20);1H;1H2/t15-;;/m0../s1" RELATED InChI [ChEBI:] synonym: "InChIKey=VSHFRHVKMYGBJL-CKUXDGONSA-N" RELATED InChIKey [ChEBI:] xref: CiteXplore:21428705 "PubMed citation" xref: KEGG DRUG:D04048 "KEGG DRUG" xref: ChemIDplus:132112-35-7 "CAS Registry Number" xref: Patent:WO2009044404 "Patent" xref: Reaxys:5421768 "Reaxys Registry Number" xref: CiteXplore:18812844 "PubMed citation" xref: CiteXplore:18754438 "PubMed citation" xref: CiteXplore:19501560 "PubMed citation" xref: CiteXplore:18179827 "PubMed citation" xref: CiteXplore:19128713 "PubMed citation" xref: KEGG DRUG:132112-35-7 "CAS Registry Number" xref: DrugBank:DB00296 "DrugBank" xref: CiteXplore:18374550 "PubMed citation" is_a: CHEBI:35505 relationship: has_role CHEBI:36333 relationship: has_part CHEBI:60803 [Term] id: CHEBI:32091 name: remifentanil hydrochloride def: "The monohydrochloride salt of remifentanil." [] synonym: "methyl 1-(3-methoxy-3-oxopropyl)-4-[phenyl(propanoyl)amino]piperidine-4-carboxylate hydrochloride" EXACT IUPAC_NAME [IUPAC:] synonym: "4-(methoxycarbonyl)-1-(3-methoxy-3-oxopropyl)-4-[phenyl(propanoyl)amino]piperidinium chloride" EXACT IUPAC_NAME [IUPAC:] synonym: "Ultiva" RELATED BRAND_NAME [KEGG DRUG:] synonym: "remifentanil HCl" RELATED [ChemIDplus:] synonym: "C20H29ClN2O5" RELATED FORMULA [ChEBI:] synonym: "[Cl-].CCC(=O)N(c1ccccc1)C1(CC[NH+](CCC(=O)OC)CC1)C(=O)OC" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C20H28N2O5.ClH/c1-4-17(23)22(16-8-6-5-7-9-16)20(19(25)27-3)11-14-21(15-12-20)13-10-18(24)26-2;/h5-9H,4,10-15H2,1-3H3;1H" RELATED InChI [ChEBI:] synonym: "InChIKey=WFBMIPUMYUHANP-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: KEGG DRUG:D01177 "KEGG DRUG" xref: KEGG DRUG:132539-07-2 "CAS Registry Number" xref: ChemIDplus:132539-07-2 "CAS Registry Number" xref: DrugBank:DB00899 "DrugBank" xref: Reaxys:8660300 "Reaxys Registry Number" is_a: CHEBI:36807 relationship: has_part CHEBI:8802 relationship: has_role CHEBI:55322 relationship: has_role CHEBI:35482 relationship: has_role CHEBI:38877 relationship: has_role CHEBI:35717 [Term] id: CHEBI:60902 name: orphenadrine hydrochloride def: "A hydrochloride comprising equimolar amounts of ophenadrine and hydrogen chloride." [] synonym: "N,N-dimethyl-2-[(2-methylphenyl)(phenyl)methoxy]ethanaminium chloride" EXACT IUPAC_NAME [IUPAC:] synonym: "N,N-dimethyl-2-(o-methyl-alpha-phenylbenzyloxy)ethylamine hydrochloride" RELATED [ChemIDplus:] synonym: "2-dimethylaminoethyl 2-methylbenzhydryl ether hydrochloride" RELATED [ChemIDplus:] synonym: "mefenamin hydrochloride" RELATED [ChemIDplus:] synonym: "Disipal" RELATED BRAND_NAME [KEGG DRUG:] synonym: "N,N-dimethyl-2-[(2-methylphenyl)(phenyl)methoxy]ethanamine hydrochloride" EXACT IUPAC_NAME [IUPAC:] synonym: "C18H24ClNO" RELATED FORMULA [ChEBI:] synonym: "[Cl-].C[NH+](C)CCOC(c1ccccc1)c1ccccc1C" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C18H23NO.ClH/c1-15-9-7-8-12-17(15)18(20-14-13-19(2)3)16-10-5-4-6-11-16;/h4-12,18H,13-14H2,1-3H3;1H" RELATED InChI [ChEBI:] synonym: "InChIKey=UQZKYYIKWZOKKD-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: ChemIDplus:341-69-5 "CAS Registry Number" xref: KEGG DRUG:D02599 "KEGG DRUG" xref: DrugBank:DB01173 "DrugBank" xref: Reaxys:3745818 "Reaxys Registry Number" xref: NIST Chemistry WebBook:341-69-5 "CAS Registry Number" xref: KEGG DRUG:341-69-5 "CAS Registry Number" is_a: CHEBI:36807 relationship: has_part CHEBI:7789 relationship: has_role CHEBI:60797 relationship: has_role CHEBI:37955 relationship: has_role CHEBI:48407 relationship: has_role CHEBI:50370 relationship: has_role CHEBI:51371 relationship: has_role CHEBI:48876 [Term] id: CHEBI:60937 name: moricizine hydrochloride def: "A hydrochloride salt obtained from equimola amounts of moricizine and hydrogen chloride." [] synonym: "ethyl {10-[3-(morpholin-4-yl)propanoyl]-10HH-phenothiazin-2-yl}carbamate hydrochloride" EXACT IUPAC_NAME [IUPAC:] synonym: "4-(3-{2-[(ethoxycarbonyl)amino]-10H-phenothiazin-10-yl}-3-oxopropyl)morpholin-4-ium chloride" EXACT IUPAC_NAME [IUPAC:] synonym: "moracizine hydrochloride" RELATED [ChEBI:] synonym: "ethyl 10-(beta-N-morpholinylpropionyl)phenothiazine-2-carbamate hydrochloride" RELATED [ChemIDplus:] synonym: "moricizine HCl" RELATED [ChemIDplus:] synonym: "Ethmozine" RELATED BRAND_NAME [KEGG DRUG:] synonym: "moracizine HCl" RELATED [ChEBI:] synonym: "C22H26ClN3O4S" RELATED FORMULA [ChEBI:] synonym: "[Cl-].CCOC(=O)Nc1ccc2Sc3ccccc3N(C(=O)CC[NH+]3CCOCC3)c2c1" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C22H25N3O4S.ClH/c1-2-29-22(27)23-16-7-8-20-18(15-16)25(17-5-3-4-6-19(17)30-20)21(26)9-10-24-11-13-28-14-12-24;/h3-8,15H,2,9-14H2,1H3,(H,23,27);1H" RELATED InChI [ChEBI:] synonym: "InChIKey=GAQAKFHSULJNAK-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: KEGG DRUG:D02087 "KEGG DRUG" xref: ChemIDplus:29560-58-5 "CAS Registry Number" xref: KEGG DRUG:29560-58-5 "CAS Registry Number" xref: Reaxys:5212239 "Reaxys Registry Number" is_a: CHEBI:36807 relationship: has_part CHEBI:6997 relationship: has_role CHEBI:38070 [Term] id: CHEBI:6917 name: mexiletine hydrochloride def: "A hydrochloride composed of equimolar amounts of mexiletine and hydrogen chloride." [] synonym: "Mexitil" RELATED BRAND_NAME [KEGG DRUG:] synonym: "mexiletine HCl" RELATED [ChemIDplus:] synonym: "1-methyl-2-(2,6-xylyloxy)ethylammonium chloride" RELATED [ChemIDplus:] synonym: "1-(2,6-dimethylphenoxy)-2-propanamine hydrochloride" RELATED [ChemIDplus:] synonym: "1-(2,6-dimethylphenoxy)propan-2-aminium chloride" EXACT IUPAC_NAME [IUPAC:] synonym: "1-methyl-2-(2,6-xylyloxy)ethylamine hydrochloride" RELATED [ChemIDplus:] synonym: "1-(2,6-dimethylphenoxy)propan-2-amine hydrochloride" EXACT IUPAC_NAME [IUPAC:] synonym: "(+-)-1-methyl-2-(2,6-xylyloxy)ethylamine hydrochloride" RELATED [ChemIDplus:] synonym: "1-(2,6-dimethylphenoxy)-2-aminopropane hydrochloride" RELATED [ChemIDplus:] synonym: "C11H18ClNO" RELATED FORMULA [ChEBI:] synonym: "[Cl-].CC([NH3+])COc1c(C)cccc1C" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C11H17NO.ClH/c1-8-5-4-6-9(2)11(8)13-7-10(3)12;/h4-6,10H,7,12H2,1-3H3;1H" RELATED InChI [ChEBI:] synonym: "InChIKey=NFEIBWMZVIVJLQ-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: KEGG DRUG:5370-01-4 "CAS Registry Number" xref: ChemIDplus:5370-01-4 "CAS Registry Number" xref: Reaxys:4209895 "Reaxys Registry Number" xref: KEGG DRUG:D00639 "KEGG DRUG" xref: DrugBank:DB00379 "DrugBank" is_a: CHEBI:36807 relationship: has_part CHEBI:6916 relationship: has_role CHEBI:38070 [Term] id: CHEBI:6899 name: metoclopramide hydrochloride def: "A hydrate that is the monohydrate form of metoclopramide monohydrochloride." [] synonym: "Peraprin" RELATED BRAND_NAME [DrugBank:] synonym: "4-amino-5-chloro-N-(2-(diethylamino)ethyl)-o-anisamide monohydrochloride monohydrate" RELATED [ChemIDplus:] synonym: "Gastromax" RELATED BRAND_NAME [DrugBank:] synonym: "Metramid" RELATED BRAND_NAME [DrugBank:] synonym: "Maxolon" RELATED BRAND_NAME [DrugBank:] synonym: "Apo-Metoclop" RELATED BRAND_NAME [DrugBank:] synonym: "Plasil" RELATED BRAND_NAME [DrugBank:] synonym: "Duraclamid" RELATED BRAND_NAME [DrugBank:] synonym: "Clopromate" RELATED BRAND_NAME [DrugBank:] synonym: "Reglan" RELATED BRAND_NAME [DrugBank:] synonym: "Paspertin" RELATED BRAND_NAME [DrugBank:] synonym: "4-amino-5-chloro-N-[2-(diethylamino)ethyl]-2-methoxybenzamide hydrochloride--water (1/1)" EXACT IUPAC_NAME [IUPAC:] synonym: "Metocobil" RELATED BRAND_NAME [DrugBank:] synonym: "Moriperan" RELATED BRAND_NAME [DrugBank:] synonym: "metoclopramide hydrochloride monohydrate" RELATED [KEGG DRUG:] synonym: "Parmid" RELATED BRAND_NAME [DrugBank:] synonym: "Metamide" RELATED BRAND_NAME [DrugBank:] synonym: "Emperal" RELATED BRAND_NAME [DrugBank:] synonym: "Gastrotablinen" RELATED BRAND_NAME [DrugBank:] synonym: "Gastrosil" RELATED BRAND_NAME [DrugBank:] synonym: "Gastrese" RELATED BRAND_NAME [DrugBank:] synonym: "Pramiel" RELATED BRAND_NAME [DrugBank:] synonym: "Cerucal" RELATED BRAND_NAME [DrugBank:] synonym: "Mygdalon" RELATED BRAND_NAME [DrugBank:] synonym: "Meclopran" RELATED BRAND_NAME [DrugBank:] synonym: "Gastrobid" RELATED BRAND_NAME [DrugBank:] synonym: "Gastrotem" RELATED BRAND_NAME [DrugBank:] synonym: "Metoclopramide HCl H2O" RELATED [ChEBI:] synonym: "Metoclol" RELATED BRAND_NAME [DrugBank:] synonym: "Maxeran" RELATED BRAND_NAME [DrugBank:] synonym: "2-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-N,N-diethylethanaminium chloride--water (1/1)" EXACT IUPAC_NAME [IUPAC:] synonym: "C14H25Cl2N3O3" RELATED FORMULA [ChEBI:] synonym: "O.Cl.CCN(CC)CCNC(=O)c1cc(Cl)c(N)cc1OC" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C14H22ClN3O2.ClH.H2O/c1-4-18(5-2)7-6-17-14(19)10-8-11(15)12(16)9-13(10)20-3;;/h8-9H,4-7,16H2,1-3H3,(H,17,19);1H;1H2" RELATED InChI [ChEBI:] synonym: "InChIKey=KJBLQGHJOCAOJP-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: KEGG DRUG:D05008 "KEGG DRUG" xref: DrugBank:DB01233 "DrugBank" xref: Reaxys:14033489 "Reaxys Registry Number" xref: KEGG DRUG:54143-57-6 "CAS Registry Number" is_a: CHEBI:35505 is_a: CHEBI:36807 relationship: has_role CHEBI:55324 relationship: has_role CHEBI:48561 relationship: has_role CHEBI:50919 relationship: has_part CHEBI:61170 [Term] id: CHEBI:60906 name: metoclopramide dihydrochloride monohydrate def: "A hydrate that is the monohydrate form of metoclopramide dihydrochloride." [] synonym: "Primperan" RELATED BRAND_NAME [DrugBank:] synonym: "2-chloro-4-{[2-(diethylammonio)ethyl]carbamoyl}-5-methoxyanilinium dichloride--water (1/1)" EXACT IUPAC_NAME [IUPAC:] synonym: "Emetid" RELATED BRAND_NAME [DrugBank:] synonym: "4-amino-5-chloro-N-(2-(diethylamino)ethyl)-o-anisamide dihydrochloride monohydrate" RELATED [ChemIDplus:] synonym: "Gastronerton" RELATED BRAND_NAME [DrugBank:] synonym: "4-amino-5-chloro-N-[2-(diethylamino)ethyl]-2-methoxybenzamide dihydrochloride--water (1/1)" EXACT IUPAC_NAME [IUPAC:] synonym: "2-methoxy-4-amino-5-chloro-N-(beta-(diethylamino)ethyl)benzamide dihydrochloride monohydrate" RELATED [ChemIDplus:] synonym: "C14H26Cl3N3O3" RELATED FORMULA [ChEBI:] synonym: "O.[Cl-].[Cl-].CC[NH+](CC)CCNC(=O)c1cc(Cl)c([NH3+])cc1OC" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C14H22ClN3O2.2ClH.H2O/c1-4-18(5-2)7-6-17-14(19)10-8-11(15)12(16)9-13(10)20-3;;;/h8-9H,4-7,16H2,1-3H3,(H,17,19);2*1H;1H2" RELATED InChI [ChEBI:] synonym: "InChIKey=IRQVJPHZDYMXNW-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: ChemIDplus:5581-45-3 "CAS Registry Number" xref: KEGG DRUG:D02213 "KEGG DRUG" xref: DrugBank:DB01233 "DrugBank" xref: KEGG DRUG:5581-45-3 "CAS Registry Number" xref: Reaxys:6672858 "Reaxys Registry Number" is_a: CHEBI:36807 is_a: CHEBI:35505 relationship: has_role CHEBI:50919 relationship: has_role CHEBI:48561 relationship: has_role CHEBI:55324 relationship: has_part CHEBI:6899 relationship: has_part CHEBI:61172 [Term] id: CHEBI:61193 name: buclizine dihydrochloride def: "A hydrochloride salt that is obtained by reaction of buclizine with 2 equivalents of hydrogen chloride." [] synonym: "BUCLADIN-S" RELATED BRAND_NAME [ChEBI:] synonym: "1-(p-chlorobenzhydryl)-4-(p-t-butylbenzyl)diethylenediamine dihydrochloride" RELATED [ChemIDplus:] synonym: "1-(4-tert-butylbenzyl)-4-[(4-chlorophenyl)(phenyl)methyl]piperazine dihydrochloride" EXACT IUPAC_NAME [IUPAC:] synonym: "buclizine hydrochloride" RELATED [ChemIDplus:] synonym: "1-(p-tert-butylbenzyl)-4-(p-chloro-alpha-phenylbenzyl)piperazine dihydrochloride" RELATED [ChemIDplus:] synonym: "buclizine 2HCl" RELATED [ChEBI:] synonym: "1-(4-tert-butylbenzyl)-4-[(4-chlorophenyl)(phenyl)methyl]piperazinediium dichloride" RELATED [IUPAC:] synonym: "C28H35Cl3N2" RELATED FORMULA [ChEBI:] synonym: "Cl.Cl.CC(C)(C)c1ccc(CN2CCN(CC2)C(c2ccccc2)c2ccc(Cl)cc2)cc1" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C28H33ClN2.2ClH/c1-28(2,3)25-13-9-22(10-14-25)21-30-17-19-31(20-18-30)27(23-7-5-4-6-8-23)24-11-15-26(29)16-12-24;;/h4-16,27H,17-21H2,1-3H3;2*1H" RELATED InChI [ChEBI:] synonym: "InChIKey=SDBHDSZKNVDKNU-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: DrugBank:DB00354 "DrugBank" xref: KEGG DRUG:D02089 "KEGG DRUG" xref: KEGG DRUG:129-74-8 "CAS Registry Number" xref: Reaxys:3810500 "Reaxys Registry Number" xref: ChemIDplus:129-74-8 "CAS Registry Number" is_a: CHEBI:36807 relationship: has_part CHEBI:61192 relationship: has_role CHEBI:35488 relationship: has_role CHEBI:36333 relationship: has_role CHEBI:37956 relationship: has_role CHEBI:48873 relationship: has_role CHEBI:50919 [Term] id: CHEBI:61208 name: anileridine dihydrochloride def: "A hydrochloride salt prepared from anileridine and 2 equivalents of hydrogen chloride." [] synonym: "N-(beta-(p-aminophenyl)ethyl)-4-phenyl-4-carbethoxypiperidine dihydrochloride" RELATED [ChemIDplus:] synonym: "ethyl 1-(p-aminophenethyl)-4-phenylisonipecotate dihydrochloride" RELATED [ChemIDplus:] synonym: "anileridine hydrochloride" RELATED [ChemIDplus:] synonym: "ethyl 1-(4-aminophenethyl)-4-phenylisonipecotate dihydrochloride" RELATED [ChemIDplus:] synonym: "anileridine HCl" RELATED [ChemIDplus:] synonym: "N-beta-(p-aminophenyl)ethylnormeperidine dihydrochloride" RELATED [ChemIDplus:] synonym: "Leritine" RELATED BRAND_NAME [ChemIDplus:] synonym: "ethyl 1-[2-(4-aminophenyl)ethyl]-4-phenylpiperidine-4-carboxylate dihydrochloride" EXACT IUPAC_NAME [IUPAC:] synonym: "1-[2-(4-ammoniophenyl)ethyl]-4-(ethoxycarbonyl)-4-phenylpiperidinium dichloride" RELATED [IUPAC:] synonym: "anileridine 2HCl" RELATED [ChEBI:] synonym: "C22H30Cl2N2O2" RELATED FORMULA [ChEBI:] synonym: "Cl.Cl.CCOC(=O)C1(CCN(CCc2ccc(N)cc2)CC1)c1ccccc1" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C22H28N2O2.2ClH/c1-2-26-21(25)22(19-6-4-3-5-7-19)13-16-24(17-14-22)15-12-18-8-10-20(23)11-9-18;;/h3-11H,2,12-17,23H2,1H3;2*1H" RELATED InChI [ChEBI:] synonym: "InChIKey=ZYTHLJLPPSSDIP-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: KEGG DRUG:D02089 "KEGG DRUG" xref: KEGG DRUG:129-74-8 "CAS Registry Number" xref: DrugBank:DB00913 "DrugBank" xref: Reaxys:3797267 "Reaxys Registry Number" xref: ChemIDplus:129-74-8 "CAS Registry Number" is_a: CHEBI:36807 relationship: has_part CHEBI:61207 relationship: has_role CHEBI:35482 [Term] id: CHEBI:35340 name: methamphetamine hydrochloride def: "A hydrochloride having methamphetamine as the base component." [] synonym: "methamphetamine hydrochloride" EXACT [ChemIDplus:] synonym: "methamphetamine hydrogen chloride" RELATED [ChEBI:] synonym: "d-methaphetamine hydrochloride" RELATED [ChemIDplus:] synonym: "(+)-N,alpha-dimethylphenethylamine hydrochloride" RELATED [ChemIDplus:] synonym: "(2S)-N-methyl-1-phenylpropan-2-amine hydrochloride" EXACT IUPAC_NAME [IUPAC:] synonym: "(+)-methamphetamine hydrochloride" RELATED [ChEBI:] synonym: "(S)-(+)-methamphetamine hydrochloride" RELATED [ChEBI:] synonym: "methamphetaminium chloride" RELATED [ChemIDplus:] synonym: "C10H16ClN" RELATED FORMULA [ChEBI:] synonym: "Cl.CN[C@@H](C)Cc1ccccc1" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C10H15N.ClH/c1-9(11-2)8-10-6-4-3-5-7-10;/h3-7,9,11H,8H2,1-2H3;1H/t9-;/m0./s1" RELATED InChI [ChEBI:] synonym: "InChIKey=TWXDDNPPQUTEOV-FVGYRXGTSA-N" RELATED InChIKey [ChEBI:] xref: ChemIDplus:51-57-0 "CAS Registry Number" xref: Reaxys:5125268 "Reaxys Registry Number" xref: Beilstein:5125268 "Beilstein Registry Number" relationship: has_functional_parent CHEBI:6809 is_a: CHEBI:36807 [Term] id: CHEBI:62268 name: CH5424802 def: "A hydrochloride having 9-ethyl-6,6-dimethyl-8-[4-(morpholin-4-yl)piperidin-1-yl]-11-oxo-6,11-dihydro-5H-benzo[b]carbazole-3-carbonitrile as the basic conponent" [] synonym: "9-ethyl-6,6-dimethyl-8-[4-(morpholin-4-yl)piperidin-1-yl]-11-oxo-6,11-dihydro-5H-benzo[b]carbazole-3-carbonitrile hydrochloride" EXACT IUPAC_NAME [IUPAC:] synonym: "C30H35ClN4O2" RELATED FORMULA [ChEBI:] synonym: "Cl.CCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1N1CCC(CC1)N1CCOCC1" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C30H34N4O2.ClH/c1-4-20-16-23-24(17-26(20)34-9-7-21(8-10-34)33-11-13-36-14-12-33)30(2,3)29-27(28(23)35)22-6-5-19(18-31)15-25(22)32-29;/h5-6,15-17,21,32H,4,7-14H2,1-3H3;1H" RELATED InChI [ChEBI:] synonym: "InChIKey=GYABBVHSRIHYJR-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: SUBMITTER:21575866 "PubMed citation" is_a: CHEBI:36807 relationship: has_role CHEBI:35610 relationship: has_role CHEBI:62434 [Term] id: CHEBI:38213 name: methapyrilene hydrochloride def: "A hydrochloride that is the monohydrochloride salt of methapyrilene." [] synonym: "Thenylpyramine hydrochloride" RELATED [ChemIDplus:] synonym: "Thenylene hydrochloride" RELATED [ChemIDplus:] synonym: "Methoxylene" RELATED [ChemIDplus:] synonym: "2-((2-(Dimethylamino)ethyl)-2-thenylamino)pyridine monohydrochloride" RELATED [ChemIDplus:] synonym: "methypyrilene hydrochloride" RELATED [ChEBI:] synonym: "N,N-dimethyl-N'-pyridin-2-yl-N'-[(thiophen-2-yl)methyl]ethane-1,2-diamine hydrochloride" EXACT IUPAC_NAME [IUPAC:] synonym: "C14H20ClN3S" RELATED FORMULA [ChEBI:] synonym: "C14H19N3S.ClH" RELATED FORMULA [ChemIDplus:] synonym: "Cl.CN(C)CCN(Cc1cccs1)c1ccccn1" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C14H19N3S.ClH/c1-16(2)9-10-17(12-13-6-5-11-18-13)14-7-3-4-8-15-14;/h3-8,11H,9-10,12H2,1-2H3;1H" RELATED InChI [ChEBI:] synonym: "InChIKey=BONORRGKLJBGRV-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: ChemIDplus:135-23-9 "CAS Registry Number" xref: CiteXplore:6136519 "PubMed citation" xref: DrugBank:DB04819 "DrugBank" xref: CiteXplore:11986676 "PubMed citation" relationship: has_functional_parent CHEBI:6820 is_a: CHEBI:36807 relationship: has_role CHEBI:37955 relationship: has_role CHEBI:50857 relationship: has_role CHEBI:35717 relationship: has_role CHEBI:50903 [Term] id: CHEBI:48391 name: cinacalcet hydrochloride def: "A hydrochloride derived from equimolar amounts of cinacalcet and hydrogen chloride." [] synonym: "CNC-HCl" RELATED [Patent:] synonym: "Sensipar" RELATED [KEGG DRUG:] synonym: "SENSIPAR(TM)" RELATED BRAND_NAME [Patent:] synonym: "N-[(1R)-1-(1-naphthyl)ethyl]-3-[3-(trifluoromethyl)phenyl]propan-1-amine hydrochloride" EXACT IUPAC_NAME [IUPAC:] synonym: "Mimpara" RELATED [ChEBI:] synonym: "C22H23ClF3N" RELATED FORMULA [ChEBI:] synonym: "C22H22F3N.HCl" RELATED FORMULA [ChEBI:] synonym: "Cl.C[C@@H](NCCCc1cccc(c1)C(F)(F)F)c1cccc2ccccc12" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C22H22F3N.ClH/c1-16(20-13-5-10-18-9-2-3-12-21(18)20)26-14-6-8-17-7-4-11-19(15-17)22(23,24)25;/h2-5,7,9-13,15-16,26H,6,8,14H2,1H3;1H/t16-;/m1./s1" RELATED InChI [ChEBI:] synonym: "InChIKey=QANQWUQOEJZMLL-PKLMIRHRSA-N" RELATED InChIKey [ChEBI:] xref: Patent:US2007060645 "Patent" xref: Patent:364782-34-3 "CAS Registry Number" xref: CiteXplore:17652181 "PubMed citation" xref: Patent:US2010298606 "Patent" xref: Reaxys:10219584 "Reaxys Registry Number" xref: CiteXplore:16200170 "PubMed citation" xref: ChemIDplus:364782-34-3 "CAS Registry Number" xref: Patent:WO2010094674 "Patent" xref: Beilstein:10219584 "Beilstein Registry Number" xref: CiteXplore:20555319 "PubMed citation" xref: CiteXplore:16680561 "PubMed citation" xref: KEGG DRUG:D03505 "KEGG DRUG" relationship: has_functional_parent CHEBI:48390 is_a: CHEBI:36807 relationship: has_role CHEBI:48525 relationship: has_role CHEBI:50183 [Term] id: CHEBI:63112 name: fingolimod hydrochloride def: "The hydrochloride salt of 2-amino-2-[2-(4-octylphenyl) ethyl]-1,3-propanediol (fingolimod)." [] synonym: "2-amino-2-(2-(4-octylphenyl)ethyl)propane-1,3-diol hydrochloride" RELATED [ChEBI:] synonym: "2-amino-2-[2-(4-octylphenyl) ethyl]-1,3-propanediol hydrochloride" EXACT IUPAC_NAME [IUPAC:] synonym: "2-Amino-2-(2-(4-octylphenyl)ethyl)-1,3-propanediol hydrochloride" RELATED [ChemIDplus:] synonym: "Fingolimod HCl" RELATED [ChemIDplus:] synonym: "FTY720" RELATED [ChemIDplus:] synonym: "FTY-720" RELATED [ChemIDplus:] synonym: "Gilenya" RELATED BRAND_NAME [ChemIDplus:] synonym: "C19H34ClNO2" RELATED FORMULA [ChEBI:] synonym: "Cl.CCCCCCCCc1ccc(CCC(N)(CO)CO)cc1" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C19H33NO2.ClH/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)13-14-19(20,15-21)16-22;/h9-12,21-22H,2-8,13-16,20H2,1H3;1H" RELATED InChI [ChEBI:] synonym: "InChIKey=SWZTYAVBMYWFGS-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: ChemIDplus:162359-56-0 "CAS Registry Number" xref: CiteXplore:21280229 "PubMed citation" xref: CiteXplore:21456524 "PubMed citation" xref: CiteXplore:21719706 "PubMed citation" xref: CiteXplore:21652609 "PubMed citation" xref: CiteXplore:21955849 "PubMed citation" xref: CiteXplore:21514226 "PubMed citation" xref: Reaxys:7837310 "Reaxys Registry Number" xref: CiteXplore:21628899 "PubMed citation" xref: CiteXplore:21130737 "PubMed citation" xref: CiteXplore:21845450 "PubMed citation" xref: CiteXplore:21459808 "PubMed citation" xref: KEGG DRUG:D04187 "KEGG DRUG" xref: CiteXplore:21838759 "PubMed citation" xref: CiteXplore:21906625 "PubMed citation" xref: CiteXplore:21045200 "PubMed citation" xref: CiteXplore:21394595 "PubMed citation" xref: CiteXplore:21045201 "PubMed citation" is_a: CHEBI:36807 relationship: has_role CHEBI:63114 relationship: has_part CHEBI:63113 relationship: has_role CHEBI:35705 relationship: has_role CHEBI:50266 [Term] id: CHEBI:9207 name: sotalol hydrochloride def: "A hydrochloride salt that is the monohydrochloride of sotalol. It has both beta-adrenoreceptor blocking (Vaughan Williams Class II) and cardiac action potential duration prolongation (Vaughan Williams Class III) antiarrhythmic properties. It is used (usually as the hydrochloride salt) for the management of ventricular and supraventricular arrhythmias." [] synonym: "N-{4-[1-hydroxy-2-(propan-2-ylamino)ethyl]phenyl}methanesulfonamide hydrochloride" EXACT IUPAC_NAME [IUPAC:] synonym: "4-(2-Isopropylamino-1-hydroxyaethyl)methanesulfonailid hydrochlorid" RELATED [ChemIDplus:] synonym: "N-isopropyl-beta-(4-methanesulfonamidophenyl)ethanolamine hydrochloride" RELATED [ChemIDplus:] synonym: "sotalol monohydrochloride" RELATED [ChEBI:] synonym: "4'-(1-hydroxy-2-(isopropylamino)ethyl)methanesulfonanilide monohydrochloride" RELATED [ChemIDplus:] synonym: "Betapace AF" RELATED BRAND_NAME [DrugBank:] synonym: "N-(2-hydroxy-2-{4-[(methylsulfonyl)amino]phenyl}ethyl)propan-2-aminium chloride" RELATED [IUPAC:] synonym: "isopropylaminohydroxyethylmethanesulfonanilide hydrochloride" RELATED [ChemIDplus:] synonym: "sotalol HCl" RELATED [ChemIDplus:] synonym: "Betapace" RELATED BRAND_NAME [KEGG DRUG:] synonym: "C12H21ClN2O3S" RELATED FORMULA [ChEBI:] synonym: "Cl.CC(C)NCC(O)c1ccc(NS(C)(=O)=O)cc1" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C12H20N2O3S.ClH/c1-9(2)13-8-12(15)10-4-6-11(7-5-10)14-18(3,16)17;/h4-7,9,12-15H,8H2,1-3H3;1H" RELATED InChI [ChEBI:] synonym: "InChIKey=VIDRYROWYFWGSY-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: DrugBank:DB00489 "DrugBank" xref: KEGG COMPOUND:959-24-0 "CAS Registry Number" xref: KEGG DRUG:D01026 "KEGG DRUG" xref: Reaxys:4279514 "Reaxys Registry Number" xref: KEGG COMPOUND:C08229 "KEGG COMPOUND" xref: ChemIDplus:959-24-0 "CAS Registry Number" is_a: CHEBI:36807 relationship: has_role CHEBI:35530 relationship: has_role CHEBI:38070 relationship: has_part CHEBI:63647 [Term] id: CHEBI:8466 name: propafenone hydrochloride def: "A hydrochloride that is the monohydrochloride salt of propafenone. It is a class 1C antiarrhythmic drug with local anesthetic effects, and is used in the management of supraventricular and ventricular arrhythmias." [] synonym: "1-{2-[2-hydroxy-3-(propylamino)propoxy]phenyl}-3-phenylpropan-1-one hydrochloride" EXACT IUPAC_NAME [IUPAC:] synonym: "Arythmol" RELATED BRAND_NAME [ChEBI:] synonym: "propafenone HCl" RELATED [ChemIDplus:] synonym: "Rythmol" RELATED BRAND_NAME [KEGG DRUG:] synonym: "Propafenon hydrochlorid" RELATED [ChemIDplus:] synonym: "2-hydroxy-3-[2-(3-phenylpropanoyl)phenoxy]-N-propylpropan-1-aminium chloride" RELATED [IUPAC:] synonym: "C21H28ClNO3" RELATED FORMULA [ChEBI:] synonym: "C21H27NO3.HCl" RELATED FORMULA [KEGG DRUG:] synonym: "Cl.CCCNCC(O)COc1ccccc1C(=O)CCc1ccccc1" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C21H27NO3.ClH/c1-2-14-22-15-18(23)16-25-21-11-7-6-10-19(21)20(24)13-12-17-8-4-3-5-9-17;/h3-11,18,22-23H,2,12-16H2,1H3;1H" RELATED InChI [ChEBI:] synonym: "InChIKey=XWIHRGFIPXWGEF-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: KEGG DRUG:D00640 "KEGG DRUG" xref: Reaxys:4343069 "Reaxys Registry Number" xref: DrugBank:DB01182 "DrugBank" xref: KEGG DRUG:34183-22-7 "CAS Registry Number" xref: ChemIDplus:34183-22-7 "CAS Registry Number" is_a: CHEBI:36807 relationship: has_part CHEBI:63650 relationship: has_role CHEBI:38070 [Term] id: CHEBI:7008 name: moxifloxacin hydrochloride def: "A hydrochloride comprising equimolar amounts of moxifloxacin and hydrogen chloride." [] synonym: "Moxifloxacin HCl" RELATED [DrugBank:] synonym: "(4aS-cis)-1-Cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-7-(octahydro-6H-pyrrolol(3,4-b)pyridin-6-yl)-4-oxo-3-quinolinecarboxylic acid, monohydrochloride" RELATED [ChemIDplus:] synonym: "1-Cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-7-((4aS,7aS)-octahydro-6H-pyrrolo(3,4-b)pyridin-6-yl)-4-oxo-3-quinolinecarboxylic acid, monohydrochloride" RELATED [ChemIDplus:] synonym: "1-cyclopropyl-6-fluoro-8-methoxy-7-[(4aS,7aS)-octahydro-6H-pyrrolo[3,4-b]pyridin-6-yl]-4-oxo-1,4-dihydroquinoline-3-carboxylic acid hydrochloride" EXACT IUPAC_NAME [IUPAC:] synonym: "Vigamox" RELATED BRAND_NAME [KEGG DRUG:] synonym: "C21H25ClFN3O4" RELATED FORMULA [ChEBI:] synonym: "C21H24FN3O4.HCl" RELATED FORMULA [KEGG COMPOUND:] synonym: "Cl.[H][C@@]12CCCN[C@]1([H])CN(C2)c1c(F)cc2c(c1OC)n(cc(C(O)=O)c2=O)C1CC1" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C21H24FN3O4.ClH/c1-29-20-17-13(19(26)14(21(27)28)9-25(17)12-4-5-12)7-15(22)18(20)24-8-11-3-2-6-23-16(11)10-24;/h7,9,11-12,16,23H,2-6,8,10H2,1H3,(H,27,28);1H/t11-,16+;/m0./s1" RELATED InChI [ChEBI:] synonym: "InChIKey=IDIIJJHBXUESQI-DFIJPDEKSA-N" RELATED InChIKey [ChEBI:] xref: Reaxys:8377447 "Reaxys Registry Number" xref: DrugBank:DB00218 "DrugBank" xref: Patent:US2010152229 "Patent" xref: KEGG COMPOUND:C08054 "KEGG COMPOUND" xref: CiteXplore:20158483 "PubMed citation" xref: Patent:US2011212990 "Patent" xref: ChemIDplus:186826-86-8 "CAS Registry Number" xref: CiteXplore:22015966 "PubMed citation" xref: CiteXplore:21746982 "PubMed citation" xref: CiteXplore:22219661 "PubMed citation" xref: Patent:WO2011121596 "Patent" xref: KEGG COMPOUND:186826-86-8 "CAS Registry Number" xref: KEGG DRUG:D00874 "KEGG DRUG" is_a: CHEBI:36807 relationship: has_part CHEBI:63699 relationship: has_role CHEBI:36047 [Term] id: CHEBI:59046 name: N(6)-\{2-[(1,2-diphenylhydrazinyl)carbonyl]-2-hydroxyhexanoyl\}-6-aminohexylammonium chloride def: "An organoammonium salt formed from equimolar amounts of N(6)-{2-[(1,2-diphenylhydrazinyl)carbonyl]-2-hydroxyhexanoyl}-6-aminohexylamine and hydrogen chloride." [] synonym: "6-{2-[(1,2-diphenylhydrazinyl)carbonyl]-2-hydroxyhexanamido}hexan-1-aminium" EXACT IUPAC_NAME [IUPAC:] synonym: "Buto-NH3(+)Cl(-)" RELATED [ChEBI:] synonym: "C25H37ClN4O3" RELATED FORMULA [ChEBI:] synonym: "[Cl-].CCCCC(O)(C(=O)NCCCCCC[NH3+])C(=O)N(Nc1ccccc1)c1ccccc1" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C25H36N4O3.ClH/c1-2-3-18-25(32,23(30)27-20-13-5-4-12-19-26)24(31)29(22-16-10-7-11-17-22)28-21-14-8-6-9-15-21;/h6-11,14-17,28,32H,2-5,12-13,18-20,26H2,1H3,(H,27,30);1H" RELATED InChI [ChEBI:] synonym: "InChIKey=GQHLSZVLBASHHH-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: CiteXplore:3425858 "PubMed citation" is_a: CHEBI:35363 is_a: CHEBI:35779 is_a: CHEBI:46850 is_a: CHEBI:36807 [Term] id: CHEBI:63935 name: cyclazosin hydrochloride def: "A hydrochloride composed of equimolar amounts of cyclazosin and hydrogen chloride." [] synonym: "[(4aR,8aS)-4-(4-amino-6,7-dimethoxyquinazolin-2-yl)octahydroquinoxalin-1(2H)-yl](2-furyl)methanone hydrochloride" EXACT IUPAC_NAME [IUPAC:] synonym: "C23H28ClN5O4" RELATED FORMULA [ChEBI:] synonym: "Cl.[H][C@]12CCCC[C@@]1([H])N(CCN2C(=O)c1ccco1)c1nc(N)c2cc(OC)c(OC)cc2n1" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C23H27N5O4.ClH/c1-30-19-12-14-15(13-20(19)31-2)25-23(26-21(14)24)28-10-9-27(16-6-3-4-7-17(16)28)22(29)18-8-5-11-32-18;/h5,8,11-13,16-17H,3-4,6-7,9-10H2,1-2H3,(H2,24,25,26);1H/t16-,17+;/m0./s1" RELATED InChI [ChEBI:] synonym: "InChIKey=SKDIDWRQDBIQBS-MCJVGQIASA-N" RELATED InChIKey [ChEBI:] xref: Reaxys:10227786 "Reaxys Registry Number" is_a: CHEBI:36807 relationship: has_role CHEBI:63936 relationship: has_part CHEBI:63937 [Term] id: CHEBI:63964 name: N(6)-acetimidoyl-L-lysine dihydrochloride def: "A hydrochloride salt prepared from N(6)-acetimidoyl-L-lysine and two equivalents of hydrogen chloride. A selective inhibitor of inducible nitric oxide synthase." [] synonym: "L-N(6)-(1-iminoethyl)lysine dihydrochloride" RELATED [ChEBI:] synonym: "N(6)-acetimidoyllysine dihydrochloride" RELATED [ChEBI:] synonym: "(1-{[(5S)-5-ammonio-5-carboxypentyl]amino}ethylidene)ammonium dichloride" RELATED [IUPAC:] synonym: "N(6)-acetimidoyl-L-lysine hydrochloride" RELATED [ChEBI:] synonym: "N(6)-ethanimidoyl-L-lysine dihydrochloride" EXACT IUPAC_NAME [IUPAC:] synonym: "C8H19Cl2N3O2" RELATED FORMULA [ChEBI:] synonym: "Cl.Cl.CC(=N)NCCCC[C@H](N)C(O)=O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C8H17N3O2.2ClH/c1-6(9)11-5-3-2-4-7(10)8(12)13;;/h7H,2-5,10H2,1H3,(H2,9,11)(H,12,13);2*1H/t7-;;/m0../s1" RELATED InChI [ChEBI:] synonym: "InChIKey=OQIBCXRAFAHXMM-KLXURFKVSA-N" RELATED InChIKey [ChEBI:] xref: Reaxys:7083584 "Reaxys Registry Number" is_a: CHEBI:36807 relationship: has_part CHEBI:63968 relationship: has_role CHEBI:61908 [Term] id: CHEBI:64057 name: 3-[4-(3-chlorophenyl)piperazin-1-yl]-1,1-diphenylpropan-2-ol hydrochloride def: "A hydrochloride that is the monohydrochloride salt of 3-[4-(3-chlorophenyl)piperazin-1-yl]-1,1-diphenylpropan-2-ol. A selective h5-HT1D antagonist, displaying 60-fold selectivity over h5-HT1B, and exhibiting little or no affinity for a range of other receptor types." [] synonym: "BRL 15572 monohydrochloride" RELATED [ChEBI:] synonym: "3-[4-(3-chlorophenyl)piperazin-1-yl]-1,1-diphenylpropan-2-ol monohydrochloride" RELATED [ChEBI:] synonym: "3-[4-(3-chlorophenyl)piperazin-1-yl]-1,1-diphenylpropan-2-ol hydrochloride" EXACT IUPAC_NAME [IUPAC:] synonym: "4-(3-chlorophenyl)-1-(2-hydroxy-3,3-diphenylpropyl)piperazin-1-ium chloride" EXACT IUPAC_NAME [IUPAC:] synonym: "BRL 15572 hydrochloride" RELATED [ChEBI:] synonym: "C25H28Cl2N2O" RELATED FORMULA [ChEBI:] synonym: "Cl.OC(CN1CCN(CC1)c1cccc(Cl)c1)C(c1ccccc1)c1ccccc1" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C25H27ClN2O.ClH/c26-22-12-7-13-23(18-22)28-16-14-27(15-17-28)19-24(29)25(20-8-3-1-4-9-20)21-10-5-2-6-11-21;/h1-13,18,24-25,29H,14-17,19H2;1H" RELATED InChI [ChEBI:] synonym: "InChIKey=KQGJIKWDFWLCHO-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: Reaxys:9024485 "Reaxys Registry Number" is_a: CHEBI:36807 relationship: has_role CHEBI:48279 relationship: has_role CHEBI:50266 relationship: has_part CHEBI:64059 [Term] id: CHEBI:64065 name: CGP 78608 hydrochloride def: "A hydrochloride that is the monohydrochloride salt of CGP 78608. Potent and selective NMDA antagonist that acts through the glycine site (IC50 = 5 nM). Displays >500-fold selectivity over kainate and AMPA receptors (IC50 values are 2.7 and 3 muM respectively). Anticonvulsant in vivo following systemic administration." [] synonym: "[(1S)-1-{[(7-bromo-2,3-dioxo-1,2,3,4-tetrahydroquinoxalin-5-yl)methyl]amino}ethyl]phosphonic acid hydrochloride" EXACT IUPAC_NAME [IUPAC:] synonym: "(1S)-N-[(7-bromo-2,3-dioxo-1,2,3,4-tetrahydroquinoxalin-5-yl)methyl]-1-phosphonoethanaminium chloride" EXACT IUPAC_NAME [IUPAC:] synonym: "C11H14BrClN3O5P" RELATED FORMULA [ChEBI:] synonym: "Cl.C[C@@H](NCc1cc(Br)cc2[nH]c(=O)c(=O)[nH]c12)P(O)(O)=O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C11H13BrN3O5P.ClH/c1-5(21(18,19)20)13-4-6-2-7(12)3-8-9(6)15-11(17)10(16)14-8;/h2-3,5,13H,4H2,1H3,(H,14,16)(H,15,17)(H2,18,19,20);1H/t5-;/m0./s1" RELATED InChI [ChEBI:] synonym: "InChIKey=MZQQZBPMRPDKTB-JEDNCBNOSA-N" RELATED InChIKey [ChEBI:] is_a: CHEBI:36807 relationship: has_role CHEBI:50266 relationship: has_role CHEBI:60797 relationship: has_role CHEBI:35623 relationship: is_conjugate_base_of CHEBI:64066 [Term] id: CHEBI:64067 name: SB 224289 hydrochloride def: "A hydrochloride that is the monohydrochloride salt of SB 224289. Selective 5-HT1B receptor antagonist (pKi = 8.2). Displays >60-fold selectivity over 5-HT1D, 5-HT1A, 5-HT1E, 5-HT1F, 5-HT2A and 5-HT2C receptors in radioligand binding and functional assays. Centrally active following oral administration in vivo." [] synonym: "1'-methyl-5-{[2'-methyl-4'-(5-methyl-1,2,4-oxadiazol-3-yl)biphenyl-4-yl]carbonyl}-6,7-dihydro-5H-spiro[furo[2,3-f]indole-3,4'-piperidinium] chloride" EXACT IUPAC_NAME [IUPAC:] synonym: "(1'-methyl-6,7-dihydro-5H-spiro[furo[2,3-f]indole-3,4'-piperidin]-5-yl)[2'-methyl-4'-(5-methyl-1,2,4-oxadiazol-3-yl)biphenyl-4-yl]methanone hydrochloride" EXACT IUPAC_NAME [IUPAC:] synonym: "C32H33ClN4O3" RELATED FORMULA [ChEBI:] synonym: "Cl.CN1CCC2(CC1)COc1cc3CCN(C(=O)c4ccc(cc4)-c4ccc(cc4C)-c4noc(C)n4)c3cc21" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C32H32N4O3.ClH/c1-20-16-25(30-33-21(2)39-34-30)8-9-26(20)22-4-6-23(7-5-22)31(37)36-13-10-24-17-29-27(18-28(24)36)32(19-38-29)11-14-35(3)15-12-32;/h4-9,16-18H,10-15,19H2,1-3H3;1H" RELATED InChI [ChEBI:] synonym: "InChIKey=GKGKBZYMDILCOF-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: Reaxys:8248456 "Reaxys Registry Number" xref: CiteXplore:20306273 "PubMed citation" is_a: CHEBI:36807 relationship: has_role CHEBI:50266 relationship: has_role CHEBI:48279 relationship: has_part CHEBI:64071 [Term] id: CHEBI:64078 name: (1R,3S)-3-(adamantan-1-yl)-1-(aminomethyl)-3,4-dihydroisochromene-5,6-diol hydrochloride def: "A hydrochloride salt obtained by mixing equimolar amounts of (1R,3S)-3-(adamantan-1-yl)-1-(aminomethyl)-3,4-dihydroisochromene-5,6-diol with hydrochloric acid. Potent and selective dopamine D1-like receptor agonist (pEC50 values are 8.97 and < 5 for D1-like and D2-like receptors respectively). Displays anti-Parkinsonian activity following oral administration in vivo." [] synonym: "3-(1'-Adamantyl)-1-aminomethyl-3,4-dihydro-5,6-dihydroxy-1H-2-benzopyran hydrochloride" RELATED [ChemIDplus:] synonym: "A77636 hydrochloride" RELATED [ChEBI:] synonym: "[(1R,3S)-3-(adamantan-1-yl)-5,6-dihydroxy-3,4-dihydro-1H-isochromen-1-yl]methanaminium chloride" RELATED [IUPAC:] synonym: "A 77636" RELATED [ChemIDplus:] synonym: "(1R,3S)-3-(adamantan-1-yl)-1-(aminomethyl)-3,4-dihydro-1H-isochromene-5,6-diol hydrochloride" EXACT IUPAC_NAME [IUPAC:] synonym: "A 77636 hydrochloride" RELATED [ChEBI:] synonym: "A77636" RELATED [ChemIDplus:] synonym: "A-77636" RELATED [ChemIDplus:] synonym: "C20H28ClNO3" RELATED FORMULA [ChEBI:] synonym: "Cl.NC[C@@H]1O[C@@H](Cc2c(O)c(O)ccc12)C12CC3CC(CC(C3)C1)C2" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C20H27NO3.ClH/c21-10-17-14-1-2-16(22)19(23)15(14)6-18(24-17)20-7-11-3-12(8-20)5-13(4-11)9-20;/h1-2,11-13,17-18,22-23H,3-10,21H2;1H/t11?,12?,13?,17-,18-,20?;/m0./s1" RELATED InChI [ChEBI:] synonym: "InChIKey=BWHPNJVKFAPVOG-QYFJGNGUSA-N" RELATED InChIKey [ChEBI:] xref: Reaxys:5859104 "Reaxys Registry Number" xref: ChemIDplus:145307-34-2 "CAS Registry Number" is_a: CHEBI:36807 relationship: has_role CHEBI:48407 relationship: has_role CHEBI:51065 relationship: has_part CHEBI:64079 [Term] id: CHEBI:64081 name: RS 39604 hydrochloride def: "A hydrochloride salt obtained by mixing equimolar amounts of RS 39604 with hydrochloric acid. A potent and selective 5-HT4 antagonist, with a pKi of 9.1 at 5-HT4 receptors in guinea pig striatal membranes and greater than 1000-fold selectivity over 5-HT1A, 2C, 3 and D1, D2, M1, M2, AT1, B1 and alpha1C receptors. The ketone group gives RS 39604 a relatively long half life; it is also orally active and so suitable for in vivo studies." [] synonym: "N-{2-[4-(3-{4-amino-5-chloro-2-[(3,5-dimethoxybenzyl)oxy]phenyl}-3-oxopropyl)piperidin-1-yl]ethyl}methanesulfonamide hydrochloride" EXACT IUPAC_NAME [IUPAC:] synonym: "RS 67506" RELATED [ChemIDplus:] synonym: "RS67506" RELATED [ChemIDplus:] synonym: "1-(4-Amino-5-chloro-2-methoxyphenyl)-3-(1-(2-methylsulphonylamino)ethyl-4-piperidinyl)-1-propanone hydrochloride" RELATED [ChemIDplus:] synonym: "RS-67506" RELATED [ChemIDplus:] synonym: "C26H37Cl2N3O6S" RELATED FORMULA [ChEBI:] synonym: "Cl.COc1cc(COc2cc(N)c(Cl)cc2C(=O)CCC2CCN(CCNS(C)(=O)=O)CC2)cc(OC)c1" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C26H36ClN3O6S.ClH/c1-34-20-12-19(13-21(14-20)35-2)17-36-26-16-24(28)23(27)15-22(26)25(31)5-4-18-6-9-30(10-7-18)11-8-29-37(3,32)33;/h12-16,18,29H,4-11,17,28H2,1-3H3;1H" RELATED InChI [ChEBI:] synonym: "InChIKey=QSMYZGMJSGUWPM-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: Reaxys:8889150 "Reaxys Registry Number" xref: ChemIDplus:168986-61-6 "CAS Registry Number" is_a: CHEBI:36807 relationship: has_role CHEBI:48279 relationship: has_part CHEBI:64082 [Term] id: CHEBI:64086 name: vanoxerine dihydrochloride def: "A hydrochloride salt that is obtained by reaction of vanoxerine with two equivalents of hydrogen chloride. Potent, competitive inhibitor of dopamine uptake (Ki = 1 nM for inhibition of striatal dopamine uptake). Has > 100-fold lower affinity for the noradrenalin and 5-HT uptake carriers. Also a potent sigma ligand (IC50 = 48 nM). Centrally active following systemic administration." [] synonym: "GBR 12909 dihydrochloride" RELATED [ChEBI:] synonym: "1-{2-[bis(4-fluorophenyl)methoxy]ethyl}-4-(3-phenylpropyl)piperazine dihydrochloride" EXACT IUPAC_NAME [IUPAC:] synonym: "GBR12909 dihydrochloride" RELATED [ChEBI:] synonym: "1-{2-[bis(4-fluorophenyl)methoxy]ethyl}-4-(3-phenylpropyl)piperazinediium dichloride" RELATED [IUPAC:] synonym: "Vanoxerine hydrochloride" RELATED [ChemIDplus:] synonym: "C28H34Cl2F2N2O" RELATED FORMULA [ChEBI:] synonym: "Cl.Cl.Fc1ccc(cc1)C(OCCN1CCN(CCCc2ccccc2)CC1)c1ccc(F)cc1" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C28H32F2N2O.2ClH/c29-26-12-8-24(9-13-26)28(25-10-14-27(30)15-11-25)33-22-21-32-19-17-31(18-20-32)16-4-7-23-5-2-1-3-6-23;;/h1-3,5-6,8-15,28H,4,7,16-22H2;2*1H" RELATED InChI [ChEBI:] synonym: "InChIKey=MIBSKSYCRFWIRU-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: ChemIDplus:67469-78-7 "CAS Registry Number" xref: CiteXplore:8884229 "PubMed citation" xref: CiteXplore:10939577 "PubMed citation" xref: Reaxys:5696321 "Reaxys Registry Number" xref: CiteXplore:16014753 "PubMed citation" xref: CiteXplore:7700571 "PubMed citation" xref: CiteXplore:10640288 "PubMed citation" is_a: CHEBI:36807 relationship: has_role CHEBI:51039 relationship: has_part CHEBI:64087 [Term] id: CHEBI:64091 name: 1-[2-(benzhydryloxy)ethyl]-4-(3-phenylpropyl)piperazine dihydrochloride def: "A hydrochloride salt that is obtained by reaction of 1-[2-(benzhydryloxy)ethyl]-4-(3-phenylpropyl)piperazine with two equivalents of hydrogen chloride. Potent and selective inhibitor of dopamine uptake (KD = 5.5 nM in rat striatal membranes)." [] synonym: "GBR 12935 dihydrochloride" RELATED [ChEBI:] synonym: "1-[2-(diphenylmethoxy)ethyl]-4-(3-phenylpropyl)piperazinediium dichloride" RELATED [IUPAC:] synonym: "1-[2-(diphenylmethoxy)ethyl]-4-(3-phenylpropyl)piperazine dihydrochloride" EXACT IUPAC_NAME [IUPAC:] synonym: "C28H36Cl2N2O" RELATED FORMULA [ChEBI:] synonym: "Cl.Cl.C(CN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1)Cc1ccccc1" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C28H34N2O.2ClH/c1-4-11-25(12-5-1)13-10-18-29-19-21-30(22-20-29)23-24-31-28(26-14-6-2-7-15-26)27-16-8-3-9-17-27;;/h1-9,11-12,14-17,28H,10,13,18-24H2;2*1H" RELATED InChI [ChEBI:] synonym: "InChIKey=NQWRSILGEXNJIT-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: Patent:US4202896 "Patent" xref: CiteXplore:11230993 "PubMed citation" xref: CiteXplore:9874096 "PubMed citation" xref: CiteXplore:9286626 "PubMed citation" xref: CiteXplore:17141211 "PubMed citation" xref: Reaxys:5689635 "Reaxys Registry Number" xref: CiteXplore:10082215 "PubMed citation" xref: CiteXplore:18216287 "PubMed citation" is_a: CHEBI:36807 relationship: has_role CHEBI:51039 relationship: has_part CHEBI:64092 [Term] id: CHEBI:64094 name: N-(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)-2-(2,6-dimethoxyphenoxy)ethanamine hydrochloride def: "A hydrochloride salt that is obtained by reaction of N-(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)-2-(2,6-dimethoxyphenoxy)ethanamine with one equivalent of hydrogen chloride. An alpha1A-adrenergic selective antagonist." [] synonym: "WB4101 hydrochloride" RELATED [ChEBI:] synonym: "N-(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)-2-(2,6-dimethoxyphenoxy)ethanamine hydrochloride" EXACT IUPAC_NAME [IUPAC:] synonym: "N-(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)-2-(2,6-dimethoxyphenoxy)ethanaminium chloride" RELATED [IUPAC:] synonym: "C19H24ClNO5" RELATED FORMULA [ChEBI:] synonym: "Cl.COc1cccc(OC)c1OCCNCC1COc2ccccc2O1" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C19H23NO5.ClH/c1-21-17-8-5-9-18(22-2)19(17)23-11-10-20-12-14-13-24-15-6-3-4-7-16(15)25-14;/h3-9,14,20H,10-13H2,1-2H3;1H" RELATED InChI [ChEBI:] synonym: "InChIKey=KAHMEWANVDFFCQ-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: Reaxys:4221569 "Reaxys Registry Number" is_a: CHEBI:36807 relationship: has_part CHEBI:64097 relationship: has_role CHEBI:37890 [Term] id: CHEBI:64099 name: 4-fluoro-N-\{2-[4-(7-methoxynaphthalen-1-yl)piperazin-1-yl]ethyl\}benzamide hydrochloride def: "A hydrochloride salt that is obtained by reaction of 4-fluoro-N-{2-[4-(7-methoxynaphthalen-1-yl)piperazin-1-yl]ethyl}benzamide with one equivalent of hydrogen chloride. Highly potent selective 5-HT1A receptor full agonist (pKi values are 9.0, 6.6, 7.5, 6.6 and < 6.0 for 5-HT1A, 5-HT1B, 5-HT1C, 5-HT2 and 5-HT3 receptors respectively). Possibly binds between the agonist binding site and the G protein interaction switch site, affecting the activation mechanism, and may display positive cooperativity. Anxiolytic following central administration in vivo." [] synonym: "S 14506 monohydrochloride" RELATED [ChEBI:] synonym: "S 14506" RELATED [ChemIDplus:] synonym: "1-((4-Fluorobenzoylamino)ethyl)-4-(7-methoxy-1-naphthyl)piperazine hydrochloride" RELATED [ChemIDplus:] synonym: "S 14506 hydrochloride" RELATED [ChEBI:] synonym: "S14506 monohydrochloride" RELATED [ChEBI:] synonym: "S-14506" RELATED [ChemIDplus:] synonym: "4-fluoro-N-{2-[4-(7-methoxynaphthalen-1-yl)piperazin-1-yl]ethyl}benzamide hydrochloride" EXACT IUPAC_NAME [IUPAC:] synonym: "S14506 hydrochloride" RELATED [ChEBI:] synonym: "C24H27ClFN3O2" RELATED FORMULA [ChEBI:] synonym: "Cl.COc1ccc2cccc(N3CCN(CCNC(=O)c4ccc(F)cc4)CC3)c2c1" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C24H26FN3O2.ClH/c1-30-21-10-7-18-3-2-4-23(22(18)17-21)28-15-13-27(14-16-28)12-11-26-24(29)19-5-8-20(25)9-6-19;/h2-10,17H,11-16H2,1H3,(H,26,29);1H" RELATED InChI [ChEBI:] synonym: "InChIKey=HWLZKPKZVOLFGK-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: CiteXplore:7698199 "PubMed citation" xref: Reaxys:8374093 "Reaxys Registry Number" xref: ChemIDplus:135721-98-1 "CAS Registry Number" is_a: CHEBI:36807 relationship: has_role CHEBI:35941 relationship: has_role CHEBI:35474 relationship: has_part CHEBI:64100 [Term] id: CHEBI:64111 name: GR 127935 hydrochloride def: "A hydrochloride obtained by reaction of GR 127935 with one equivalent of hydrochloric acid. Potent and selective 5-HT1B/1D receptor antagonist (pKi values are 8.5 for both guinea pig 5-HT1D and rat 5-HT1B receptors). Displays > 100-fold selectivity over 5HT1A, 5-HT2A, 5-HT2C receptors and other receptor types. Centrally active following oral administration." [] synonym: "4-[2-methoxy-5-({[2'-methyl-4'-(5-methyl-1,2,4-oxadiazol-3-yl)biphenyl-4-yl]carbonyl}amino)phenyl]-1-methylpiperazin-1-ium chloride" RELATED [IUPAC:] synonym: "GR127935 hydrochloride" RELATED [ChEBI:] synonym: "N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-2'-methyl-4'-(5-methyl-1,2,4-oxadiazol-3-yl)biphenyl-4-carboxamide hydrochloride" EXACT IUPAC_NAME [IUPAC:] synonym: "C29H32ClN5O3" RELATED FORMULA [ChEBI:] synonym: "Cl.COc1ccc(NC(=O)c2ccc(cc2)-c2ccc(cc2C)-c2noc(C)n2)cc1N1CCN(C)CC1" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C29H31N5O3.ClH/c1-19-17-23(28-30-20(2)37-32-28)9-11-25(19)21-5-7-22(8-6-21)29(35)31-24-10-12-27(36-4)26(18-24)34-15-13-33(3)14-16-34;/h5-12,17-18H,13-16H2,1-4H3,(H,31,35);1H" RELATED InChI [ChEBI:] synonym: "InChIKey=SRVVUYIJVBLEJI-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: Reaxys:8530522 "Reaxys Registry Number" is_a: CHEBI:36807 relationship: has_role CHEBI:48279 relationship: has_part CHEBI:64113 [Term] id: CHEBI:64115 name: (1S,2R)-5-methoxy-1-methyl-2-(propylamino)tetralin hydrochloride def: "A hydrochloride obtained by reaction of (1S,2R)-5-methoxy-1-methyl-2-(propylamino)tetralin with one equivalent of hydrochloric acid. Dopamine receptor antagonist with preferential action at presynaptic receptors (pKi values are 6.95, 6.67, 6.37, 6.21 and 6.07 at hD3. hD4, hD2S, hD2L and rD2 receptors respectively)." [] synonym: "(+)-AJ 76 hydrochloride" RELATED [ChEBI:] synonym: "(1S,2R)-5-methoxy-1-methyl-N-propyl-1,2,3,4-tetrahydronaphthalen-2-aminium chloride" RELATED [IUPAC:] synonym: "(1S,2R)-5-methoxy-1-methyl-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine hydrochloride" EXACT IUPAC_NAME [IUPAC:] synonym: "cis-(+)-5-methoxy-1-methyl-2-(propylamino)tetralin hydrochloride" RELATED [ChEBI:] synonym: "C15H24ClNO" RELATED FORMULA [ChEBI:] synonym: "Cl.CCCN[C@@H]1CCc2c(OC)cccc2[C@@H]1C" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C15H23NO.ClH/c1-4-10-16-14-9-8-13-12(11(14)2)6-5-7-15(13)17-3;/h5-7,11,14,16H,4,8-10H2,1-3H3;1H/t11-,14+;/m0./s1" RELATED InChI [ChEBI:] synonym: "InChIKey=KIRYNZFMOLYYQB-YECZQDJWSA-N" RELATED InChIKey [ChEBI:] xref: Reaxys:6076657 "Reaxys Registry Number" is_a: CHEBI:36807 relationship: has_role CHEBI:48561 relationship: has_part CHEBI:64118 [Term] id: CHEBI:64139 name: (2R,3S)-EHNA hydrochloride def: "A hydrochloride salt obtained by reaction of (2R,3S)-EHNA with one equivalent of hydrochloric acid. Selective inhibitor of cGMP-stimulated phosphodiesterase (PDE2) (IC50 = 0.8 - 4 mM). Also a potent inhibitor of adenosine deaminase." [] synonym: "(2R,3S)-EHNA.HCl" RELATED [ChEBI:] synonym: "(2R,3S)-3-(6-amino-9H-purin-9-yl)nonan-2-ol hydrochloride" EXACT IUPAC_NAME [IUPAC:] synonym: "erythro-9-(2-hydroxy-3-nonyl)adenine hydrochloride" RELATED [ChEBI:] synonym: "(2R,3S)-9-(2-hydroxy-3-nonyl)adenine hydrochloride" RELATED [ChEBI:] synonym: "(R,S)-6-amino-beta-hexyl-alpha-methyl-9H-purine-9-ethanol hydrochloride" RELATED [ChEBI:] synonym: "(2R,3S)-3-(adenin-9-yl)-2-nonanol hydrochloride" RELATED [ChEBI:] synonym: "C14H24ClN5O" RELATED FORMULA [ChEBI:] synonym: "Cl.CCCCCC[C@@H]([C@@H](C)O)n1cnc2c(N)ncnc12" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C14H23N5O.ClH/c1-3-4-5-6-7-11(10(2)20)19-9-18-12-13(15)16-8-17-14(12)19;/h8-11,20H,3-7H2,1-2H3,(H2,15,16,17);1H/t10-,11+;/m1./s1" RELATED InChI [ChEBI:] synonym: "InChIKey=VVDXNJRUNJMYOZ-DHXVBOOMSA-N" RELATED InChIKey [ChEBI:] xref: Reaxys:4729841 "Reaxys Registry Number" is_a: CHEBI:36807 relationship: has_role CHEBI:50218 relationship: has_role CHEBI:50445 relationship: has_part CHEBI:64140 [Term] id: CHEBI:64158 name: 2-methyl-6-(phenylethynyl)pyridine hydrochloride def: "A hydrochloride salt obtained by reaction of 2-methyl-6-(phenylethynyl)pyridine with one equivalent of hydrochloric acid. Potent and highly selective non-competitive antagonist at the mGlu5 receptor subtype (IC50 = 36 nM) and a positive allosteric modulator at mGlu4 receptors. Centrally active following systemic administration in vivo. Reverses mechanical hyperalgesia in the inflamed rat hind paw." [] synonym: "2-methyl-6-(phenylethynyl)pyridine hydrochloride" EXACT IUPAC_NAME [IUPAC:] synonym: "2-methyl-6-(phenylethynyl)pyridinium chloride" RELATED [IUPAC:] synonym: "6-methyl-2-(phenylethynyl)pyridine hydrochloride" RELATED [ChEBI:] synonym: "MPEP hydrochloride" RELATED [ChEBI:] synonym: "6-methyl-2-(phenylethynyl)pyridinium chloride" RELATED [ChEBI:] synonym: "C14H12ClN" RELATED FORMULA [ChEBI:] synonym: "Cl.Cc1cccc(n1)C#Cc1ccccc1" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C14H11N.ClH/c1-12-6-5-9-14(15-12)11-10-13-7-3-2-4-8-13;/h2-9H,1H3;1H" RELATED InChI [ChEBI:] synonym: "InChIKey=PKDHDJBNEKXCBI-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: CiteXplore:20347777 "PubMed citation" xref: Reaxys:9652435 "Reaxys Registry Number" is_a: CHEBI:36807 relationship: has_role CHEBI:63963 relationship: has_role CHEBI:35474 relationship: has_part CHEBI:64160 [Term] id: CHEBI:31262 name: benserazide hydrochloride def: "A hydrochloride that is the monohydrochloride salt of benserazide. An aromatic-L-amino-acid decarboxylase inhibitor (DOPA decarboxylase inhibitor) that does not enter the central nervous system, it is used as an adjunct to levodopa in the treatment of parkinsonism. By preventing the conversion of levodopa to dopamine in the periphery, it causes an increase in the amount of levodopa reaching the central nervous system and so reduces the required dose. Benserazide hydrochloride has no antiparkinson actions when given alone." [] synonym: "2-amino-3-hydroxy-N'-(2,3,4-trihydroxybenzyl)propanehydrazide hydrochloride" EXACT IUPAC_NAME [IUPAC:] synonym: "DL-serine 2-(2,3,4-trihydroxybenzyl)hydrazine hydrochloride" RELATED [ChemIDplus:] synonym: "2'-(2,3,4-trihydroxybenzyl)-DL-serinohydrazide monohydrochloride" RELATED [ChemIDplus:] synonym: "3-hydroxy-1-oxo-1-[2-(2,3,4-trihydroxybenzyl)hydrazinyl]propan-2-aminium chloride" RELATED [IUPAC:] synonym: "Ro 4-4602/001" RELATED [ChemIDplus:] synonym: "benserazide HCl" RELATED [ChemIDplus:] synonym: "C10H16ClN3O5" RELATED FORMULA [ChEBI:] synonym: "Cl.NC(CO)C(=O)NNCc1ccc(O)c(O)c1O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C10H15N3O5.ClH/c11-6(4-14)10(18)13-12-3-5-1-2-7(15)9(17)8(5)16;/h1-2,6,12,14-17H,3-4,11H2,(H,13,18);1H" RELATED InChI [ChEBI:] synonym: "InChIKey=ULFCBIUXQQYDEI-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: Reaxys:6494463 "Reaxys Registry Number" xref: KEGG DRUG:D01653 "KEGG DRUG" xref: KEGG DRUG:14919-77-8 "CAS Registry Number" xref: ChemIDplus:14919-77-8 "CAS Registry Number" is_a: CHEBI:36807 relationship: has_part CHEBI:64190 relationship: has_role CHEBI:48407 relationship: has_role CHEBI:59321 relationship: has_role CHEBI:48560 [Term] id: CHEBI:64199 name: carmoxirole hydrochloride def: "A hydrochloride salt obtained by reaction of carmoxirole with one equivalent of hydrochloric acid. Selective, peripherally acting dopamine D2 receptor agonist. Modulates noradrenalin release and sympathetic activation. Displays antihypertensive properties in vivo." [] synonym: "1-[4-(5-carboxy-1H-indol-3-yl)butyl]-4-phenyl-1,2,3,6-tetrahydropyridinium chloride" RELATED [IUPAC:] synonym: "3-[4-(4-phenyl-3,6-dihydropyridin-1(2H)-yl)butyl]-1H-indole-5-carboxylic acid hydrochloride" EXACT IUPAC_NAME [IUPAC:] synonym: "C24H27ClN2O2" RELATED FORMULA [ChEBI:] synonym: "Cl.OC(=O)c1ccc2[nH]cc(CCCCN3CCC(=CC3)c3ccccc3)c2c1" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C24H26N2O2.ClH/c27-24(28)20-9-10-23-22(16-20)21(17-25-23)8-4-5-13-26-14-11-19(12-15-26)18-6-2-1-3-7-18;/h1-3,6-7,9-11,16-17,25H,4-5,8,12-15H2,(H,27,28);1H" RELATED InChI [ChEBI:] synonym: "InChIKey=LRJUHOBITQUXIO-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: Reaxys:5689787 "Reaxys Registry Number" is_a: CHEBI:36807 relationship: has_role CHEBI:51065 relationship: has_role CHEBI:35674 relationship: has_role CHEBI:50427 relationship: has_part CHEBI:64201 [Term] id: CHEBI:3755 name: clomipramine hydrochloride def: "A hydrochloride resulting from the reaction of equimolar amounts of clomipramine and hydrogen chloride. One of the more sedating tricyclic antidepressants, it is used for the treatment of depression as well as obsessive-compulsive disorder and phobias." [] synonym: "clomipramine HCl" RELATED [ChemIDplus:] synonym: "3-(3-chloro-10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-N,N-dimethylpropan-1-amine hydrochloride" EXACT IUPAC_NAME [IUPAC:] synonym: "chloroimipramine monohydrochloride" RELATED [ChemIDplus:] synonym: "Anafranil" RELATED BRAND_NAME [KEGG DRUG:] synonym: "3-(3-chloro-10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-N,N-dimethylpropan-1-aminium chloride" RELATED [IUPAC:] synonym: "3-chloroimipramine hydrochloride" RELATED [ChemIDplus:] synonym: "clomipramine monohydrochloride" RELATED [ChEBI:] synonym: "C19H24Cl2N2" RELATED FORMULA [ChEBI:] synonym: "Cl.CN(C)CCCN1c2ccccc2CCc2ccc(Cl)cc12" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C19H23ClN2.ClH/c1-21(2)12-5-13-22-18-7-4-3-6-15(18)8-9-16-10-11-17(20)14-19(16)22;/h3-4,6-7,10-11,14H,5,8-9,12-13H2,1-2H3;1H" RELATED InChI [ChEBI:] synonym: "InChIKey=WIMWMKZEIBHDTH-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: Reaxys:4168494 "Reaxys Registry Number" xref: DrugBank:DB01242 "DrugBank" xref: KEGG DRUG:D00811 "KEGG DRUG" xref: KEGG DRUG:17321-77-6 "CAS Registry Number" xref: ChemIDplus:17321-77-6 "CAS Registry Number" is_a: CHEBI:36807 relationship: has_role CHEBI:35469 relationship: has_part CHEBI:64209 relationship: has_role CHEBI:48279 relationship: has_role CHEBI:48278 [Term] id: CHEBI:9124 name: sertraline hydrochloride def: "A hydrochloride resulting from the reaction of equimolar amounts of sertraline and hydrogen chloride. A selective serotonin-reuptake inhibitor (SSRI), it is administered orally as an antidepressant for the treatment of depression, obsessive-compulsive disorder, panic disorder and post-traumatic stress disorder." [] synonym: "(+)-cis-(1S,4S)-1-methylamino-4-(3,4-dichlorophenyl)tetralin hydrochloride" RELATED [ChEBI:] synonym: "(+)-sertraline hydrochloride" RELATED [ChEBI:] synonym: "Lustral" RELATED BRAND_NAME [ChEBI:] synonym: "Zoloft" RELATED BRAND_NAME [KEGG DRUG:] synonym: "(1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-aminium chloride" RELATED [IUPAC:] synonym: "(1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine hydrochloride" EXACT IUPAC_NAME [IUPAC:] synonym: "sertraline HCl" RELATED [ChemIDplus:] synonym: "(1S-cis)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine hydrochloride" RELATED [ChEBI:] synonym: "C17H18Cl3N" RELATED FORMULA [ChEBI:] synonym: "Cl.[H][C@]1(CC[C@H](NC)c2ccccc12)c1ccc(Cl)c(Cl)c1" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C17H17Cl2N.ClH/c1-20-17-9-7-12(13-4-2-3-5-14(13)17)11-6-8-15(18)16(19)10-11;/h2-6,8,10,12,17,20H,7,9H2,1H3;1H/t12-,17-;/m0./s1" RELATED InChI [ChEBI:] synonym: "InChIKey=BLFQGGGGFNSJKA-XHXSRVRCSA-N" RELATED InChIKey [ChEBI:] xref: Reaxys:5783715 "Reaxys Registry Number" xref: CiteXplore:20953053 "PubMed citation" xref: CiteXplore:19370626 "PubMed citation" xref: DrugBank:DB01104 "DrugBank" xref: CiteXplore:20383937 "PubMed citation" xref: CiteXplore:8342482 "PubMed citation" xref: HMDB:HMDB05010 "HMDB" xref: CiteXplore:14596660 "PubMed citation" xref: CiteXplore:20393946 "PubMed citation" xref: CiteXplore:12387695 "PubMed citation" xref: CiteXplore:18980823 "PubMed citation" xref: CiteXplore:21070110 "PubMed citation" xref: CiteXplore:8675965 "PubMed citation" xref: CiteXplore:21456103 "PubMed citation" xref: CiteXplore:12772794 "PubMed citation" xref: CiteXplore:12452737 "PubMed citation" xref: CiteXplore:21823671 "PubMed citation" xref: CiteXplore:10184609 "PubMed citation" xref: CiteXplore:12701343 "PubMed citation" xref: CiteXplore:19026250 "PubMed citation" xref: KEGG DRUG:79559-97-0 "CAS Registry Number" xref: ChemIDplus:79559-97-0 "CAS Registry Number" xref: Patent:US2008161412 "Patent" xref: CiteXplore:12093324 "PubMed citation" xref: CiteXplore:19584964 "PubMed citation" xref: CiteXplore:19502000 "PubMed citation" xref: CiteXplore:20457874 "PubMed citation" xref: CiteXplore:17661734 "PubMed citation" xref: KEGG DRUG:D00825 "KEGG DRUG" xref: Wikipedia:Sertraline "Wikipedia" is_a: CHEBI:36807 relationship: has_role CHEBI:50949 relationship: has_role CHEBI:35469 relationship: has_part CHEBI:64214 [Term] id: CHEBI:64323 name: memantine hydrochloride def: "A hydrochloride obtained by reaction of memantine with one equivalent of hydrochloric acid. A low to moderate affinity uncompetitive (open-channel); NMDA receptor antagonist which binds preferentially to the NMDA receptor-operated cation channels." [] synonym: "memantine.HCl" RELATED [ChEBI:] synonym: "Namenda" RELATED BRAND_NAME [KEGG DRUG:] synonym: "Memantine HCl" RELATED [ChemIDplus:] synonym: "1-Amino-3,5-dimethyladamantane hydrochloride" RELATED [ChemIDplus:] synonym: "3,5-dimethyladamantan-1-aminium chloride" RELATED [IUPAC:] synonym: "3,5-dimethyladamantan-1-amine hydrochloride" EXACT IUPAC_NAME [IUPAC:] synonym: "3,5-dimethyltricyclo(3.3.1.1(3,7))decan-1-amine hydrochloride" RELATED [ChemIDplus:] synonym: "3,5-Dimethyl-1-adamantanamine hydrochloride" RELATED [ChemIDplus:] synonym: "C12H22ClN" RELATED FORMULA [ChEBI:] synonym: "Cl.CC12CC3CC(C)(C1)CC(N)(C3)C2" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C12H21N.ClH/c1-10-3-9-4-11(2,6-10)8-12(13,5-9)7-10;/h9H,3-8,13H2,1-2H3;1H" RELATED InChI [ChEBI:] synonym: "InChIKey=LDDHMLJTFXJGPI-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: CiteXplore:20703320 "PubMed citation" xref: DrugBank:DB01043 "DrugBank" xref: Reaxys:6573843 "Reaxys Registry Number" xref: CiteXplore:21875407 "PubMed citation" xref: CiteXplore:21792308 "PubMed citation" xref: CiteXplore:20013176 "PubMed citation" xref: Patent:US2011282100 "Patent" xref: KEGG DRUG:D04905 "KEGG DRUG" xref: KEGG DRUG:41100-52-1 "CAS Registry Number" xref: CiteXplore:21213317 "PubMed citation" xref: CiteXplore:21268245 "PubMed citation" xref: CiteXplore:22214393 "PubMed citation" xref: Patent:WO2011125062 "Patent" xref: CiteXplore:21893967 "PubMed citation" xref: CiteXplore:21220675 "PubMed citation" xref: ChemIDplus:41100-52-1 "CAS Registry Number" xref: CiteXplore:20926740 "PubMed citation" xref: CiteXplore:19196860 "PubMed citation" is_a: CHEBI:36807 relationship: has_role CHEBI:35469 relationship: has_role CHEBI:48407 relationship: has_role CHEBI:48560 relationship: has_role CHEBI:63726 relationship: has_role CHEBI:60797 relationship: has_part CHEBI:64325 [Term] id: CHEBI:64700 name: trimethylamine hydrochloride def: "A hydrochloride salt formed by reaction of equimolar amounts of trimethylamine and hydrogen chloride." [] synonym: "(CH3)3N.HCl" RELATED [ChEBI:] synonym: "Trimethylammonium chloride" RELATED [ChemIDplus:] synonym: "N,N-dimethylmethanaminium chloride" RELATED [IUPAC:] synonym: "N,N-dimethylmethanamine hydrochloride" EXACT IUPAC_NAME [IUPAC:] synonym: "trimethylamine monohydrochloride" RELATED [ChemIDplus:] synonym: "Me3N.HCl" RELATED [ChEBI:] synonym: "C3H10ClN" RELATED FORMULA [ChEBI:] synonym: "Cl.CN(C)C" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C3H9N.ClH/c1-4(2)3;/h1-3H3;1H" RELATED InChI [ChEBI:] synonym: "InChIKey=SZYJELPVAFJOGJ-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: ChemIDplus:593-81-7 "CAS Registry Number" xref: SUBMITTER:3905063 "Beilstein Registry Number" xref: NIST Chemistry WebBook:593-81-7 "CAS Registry Number" xref: Reaxys:3905063 "Reaxys Registry Number" xref: CiteXplore:21359302 "PubMed citation" is_a: CHEBI:36807 relationship: has_part CHEBI:58389 [Term] id: CHEBI:64701 name: cadaverine dihydrochloride def: "A hydrochloride resulting from the reaction of cadaverine with 2 mol eq. of hydrogen chloride." [] synonym: "cadaverine hydrochloride" RELATED [SUBMITTER:] synonym: "cadaverinium dichloride" RELATED [ChEBI:] synonym: "1,5-diaminopentane dihydrochloride" RELATED [ChEBI:] synonym: "N,N'-pentane-1,5-diyldiammonium dichloride" RELATED [ChemIDplus:] synonym: "pentane-1,5-diaminium dichloride" RELATED [IUPAC:] synonym: "N,N'-dimethyltrimethylenediammonium dichloride" RELATED [ChemIDplus:] synonym: "pentane-1,5-diamine dihydrochloride" EXACT IUPAC_NAME [IUPAC:] synonym: "C5H16Cl2N2" RELATED FORMULA [ChEBI:] synonym: "Cl.Cl.NCCCCCN" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C5H14N2.2ClH/c6-4-2-1-3-5-7;;/h1-7H2;2*1H" RELATED InChI [ChEBI:] synonym: "InChIKey=FGNLEIGUMSBZQP-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: HMDB:HMDB02322 "HMDB" xref: CiteXplore:16823213 "PubMed citation" xref: Reaxys:3611329 "Reaxys Registry Number" xref: ChemIDplus:1476-39-7 "CAS Registry Number" is_a: CHEBI:36807 relationship: has_part CHEBI:58384 [Term] id: CHEBI:65138 name: E-3810 def: "A hydrochloride salt obtained by reaction of 6-({7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl}oxy)-N-methyl-1-naphthamide with one equivalent of hydrochloric acid. E-3810 is a dual VEGFR and FGFR inhibitor" [] synonym: "6-({7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl}oxy)-N-methyl-1-naphthamide hydrochloride" EXACT IUPAC_NAME [IUPAC:] synonym: "1-{[(6-methoxy-4-{[5-(methylcarbamoyl)-2-naphthyl]oxy}quinolin-7-yl)oxy]methyl}cyclopropanaminium chloride" EXACT IUPAC_NAME [IUPAC:] synonym: "C26H26ClN3O4" RELATED FORMULA [ChEBI:] synonym: "Cl.CNC(=O)c1cccc2cc(Oc3ccnc4cc(OCC5(N)CC5)c(OC)cc34)ccc12" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C26H25N3O4.ClH/c1-28-25(30)19-5-3-4-16-12-17(6-7-18(16)19)33-22-8-11-29-21-14-24(23(31-2)13-20(21)22)32-15-26(27)9-10-26;/h3-8,11-14H,9-10,15,27H2,1-2H3,(H,28,30);1H" RELATED InChI [ChEBI:] synonym: "InChIKey=QHPVWTJTATVJBR-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: CiteXplore:21212416 "PubMed citation" xref: Reaxys:22181391 "Reaxys Registry Number" is_a: CHEBI:36807 relationship: has_role CHEBI:35610 relationship: has_role CHEBI:63457 relationship: has_role CHEBI:65207 relationship: has_part CHEBI:65208 [Term] id: CHEBI:65350 name: lorcaserin hydrochloride def: "A hydrochloride obtained by reaction of lorcaserin with one equivalent of hydrochloric acid. Used as an anti-obesity drug." [] synonym: "(1R)-8-chloro-1-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine hydrochloride" EXACT IUPAC_NAME [IUPAC:] synonym: "(1R)-8-chloro-1-methyl-2,3,4,5-tetrahydro-1H-3-benzazepinium chloride" EXACT IUPAC_NAME [IUPAC:] synonym: "C11H15Cl2N" RELATED FORMULA [ChEBI:] synonym: "Cl.C[C@H]1CNCCc2ccc(Cl)cc12" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C11H14ClN.ClH/c1-8-7-13-5-4-9-2-3-10(12)6-11(8)9;/h2-3,6,8,13H,4-5,7H2,1H3;1H/t8-;/m0./s1" RELATED InChI [ChEBI:] synonym: "InChIKey=ITIHHRMYZPNGRC-QRPNPIFTSA-N" RELATED InChIKey [ChEBI:] xref: KEGG DRUG:D06613 "KEGG DRUG" xref: CiteXplore:21158670 "PubMed citation" xref: CiteXplore:19900026 "PubMed citation" xref: CiteXplore:21158671 "PubMed citation" xref: CiteXplore:22249823 "PubMed citation" xref: CiteXplore:21412231 "PubMed citation" xref: CiteXplore:22011982 "PubMed citation" xref: CiteXplore:22259019 "PubMed citation" xref: CiteXplore:22421927 "PubMed citation" xref: CiteXplore:22266842 "PubMed citation" xref: Reaxys:11805340 "Reaxys Registry Number" xref: CiteXplore:21795446 "PubMed citation" xref: CiteXplore:21190985 "PubMed citation" xref: CiteXplore:21589947 "PubMed citation" xref: CiteXplore:21267355 "PubMed citation" xref: ChemIDplus:846589-98-8 "CAS Registry Number" xref: CiteXplore:21438803 "PubMed citation" xref: CiteXplore:22435392 "PubMed citation" xref: CiteXplore:20647200 "PubMed citation" xref: CiteXplore:21158669 "PubMed citation" xref: CiteXplore:22189292 "PubMed citation" xref: CiteXplore:21102648 "PubMed citation" xref: CiteXplore:21181547 "PubMed citation" xref: CiteXplore:21082598 "PubMed citation" xref: CiteXplore:22778808 "PubMed citation" is_a: CHEBI:36807 relationship: has_role CHEBI:35941 relationship: has_role CHEBI:50507 relationship: has_part CHEBI:65351 [Term] id: CHEBI:66852 name: lorcaserin hydrochloride hemihydrate def: "A hydrate that is the hemihydrate form of lorcaserin hydrochloride. Used as an anti-obesity drug." [] synonym: "(1R)-8-chloro-1-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine hydrochloride--water (2/1)" EXACT IUPAC_NAME [IUPAC:] synonym: "(1R)-8-chloro-1-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine hydrochloride hemihydrate" RELATED [ChEBI:] synonym: "BELVIQ" RELATED BRAND_NAME [ChEBI:] synonym: "C22H32Cl4N2O" RELATED FORMULA [ChEBI:] synonym: "O.Cl.Cl.C[C@H]1CNCCc2ccc(Cl)cc12.C[C@H]1CNCCc2ccc(Cl)cc12" RELATED SMILES [ChEBI:] synonym: "InChI=1S/2C11H14ClN.2ClH.H2O/c2*1-8-7-13-5-4-9-2-3-10(12)6-11(8)9;;;/h2*2-3,6,8,13H,4-5,7H2,1H3;2*1H;1H2/t2*8-;;;/m00.../s1" RELATED InChI [ChEBI:] synonym: "InChIKey=WRZCAWKMTLRWPR-VSODYHHCSA-N" RELATED InChIKey [ChEBI:] xref: CiteXplore:20857056 "PubMed citation" xref: CiteXplore:22085383 "PubMed citation" xref: CiteXplore:19900026 "PubMed citation" xref: CiteXplore:21158671 "PubMed citation" xref: CiteXplore:18095642 "PubMed citation" xref: CiteXplore:22249823 "PubMed citation" xref: CiteXplore:21158670 "PubMed citation" xref: CiteXplore:21412231 "PubMed citation" xref: CiteXplore:22421927 "PubMed citation" xref: CiteXplore:22011982 "PubMed citation" xref: CiteXplore:22266842 "PubMed citation" xref: CiteXplore:21589947 "PubMed citation" xref: CiteXplore:21190985 "PubMed citation" xref: CiteXplore:21795446 "PubMed citation" xref: CiteXplore:18252809 "PubMed citation" xref: Reaxys:15814539 "Reaxys Registry Number" xref: CiteXplore:21267355 "PubMed citation" xref: CiteXplore:20647200 "PubMed citation" xref: CiteXplore:22435392 "PubMed citation" xref: CiteXplore:21636655 "PubMed citation" xref: CiteXplore:21438803 "PubMed citation" xref: CiteXplore:21158669 "PubMed citation" xref: CiteXplore:19057523 "PubMed citation" xref: CiteXplore:21102648 "PubMed citation" xref: CiteXplore:22778808 "PubMed citation" xref: CiteXplore:21082598 "PubMed citation" xref: CiteXplore:22189292 "PubMed citation" is_a: CHEBI:35505 relationship: has_part CHEBI:65350 relationship: has_role CHEBI:50507 relationship: has_role CHEBI:35941 [Term] id: CHEBI:67202 name: N,N'-(p-xylylidene)bis(aminoguanidine) dihydrochloride def: "The hydrochloride salt of N,N'-(p-xylylidene)bis(aminoguanidine) [ratio HCl : N,N'-(p-xylylidene)bis(aminoguanidine) = 2:1]." [] synonym: "1,1'-(p-Phenylenebis(methylidynenitrilo))diguanidine dihydrochloride" RELATED [ChemIDplus:] synonym: "N'',N'''''-(1,4-phenylenedimethylylidene)dicarbonohydrazonic diamide dihydrochloride" EXACT IUPAC_NAME [IUPAC:] synonym: "N,N-(p-Xylylidene)bisaminoguanidine dihydrochloride" RELATED [ChemIDplus:] synonym: "C10H16Cl2N8" RELATED FORMULA [ChEBI:] synonym: "Cl.Cl.[H]C(=NN=C(N)N)c1ccc(cc1)C([H])=NN=C(N)N" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C10H14N8.2ClH/c11-9(12)17-15-5-7-1-2-8(4-3-7)6-16-18-10(13)14;;/h1-6H,(H4,11,12,17)(H4,13,14,18);2*1H" RELATED InChI [ChEBI:] synonym: "InChIKey=CWHXFFQCOLGJFG-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: ChemIDplus:7044-24-8 "CAS Registry Number" is_a: CHEBI:36807 relationship: has_part CHEBI:67203 [Term] id: CHEBI:68602 name: rilpivirine hydrochloride def: "A hydrochloride obtained by reaction of rilpivirine with one equivalent of hydrochloric acid. Used for treatment of HIV." [] synonym: "Edurant" RELATED BRAND_NAME [KEGG DRUG:] synonym: "4-{[4-({4-[(E)-2-cyanovinyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile hydrochloride" RELATED [IUPAC:] synonym: "TMC278 hydrochloride" RELATED [ChemIDplus:] synonym: "4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile hydrochloride" EXACT IUPAC_NAME [IUPAC:] synonym: "rilpivirine monohydrochloride" RELATED [ChEBI:] synonym: "C22H19ClN6" RELATED FORMULA [ChEBI:] synonym: "Cl.Cc1cc(\\C=C\\C#N)cc(C)c1Nc1ccnc(Nc2ccc(cc2)C#N)n1" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C22H18N6.ClH/c1-15-12-18(4-3-10-23)13-16(2)21(15)27-20-9-11-25-22(28-20)26-19-7-5-17(14-24)6-8-19;/h3-9,11-13H,1-2H3,(H2,25,26,27,28);1H/b4-3+;" RELATED InChI [ChEBI:] synonym: "InChIKey=KZVVGZKAVZUACK-BJILWQEISA-N" RELATED InChIKey [ChEBI:] xref: ChemIDplus:700361-47-3 "CAS Registry Number" xref: CiteXplore:21225012 "PubMed citation" xref: KEGG DRUG:D09958 "KEGG DRUG" xref: Patent:WO2007147882 "Patent" xref: CiteXplore:22257626 "PubMed citation" xref: KEGG DRUG:700361-47-3 "CAS Registry Number" is_a: CHEBI:36807 relationship: has_role CHEBI:50266 relationship: has_role CHEBI:53756 relationship: has_role CHEBI:38234 relationship: has_part CHEBI:68605 [Term] id: CHEBI:65917 name: FR901469 hydrochloride def: "A hydrochloride salt resulting from the mixture of equimolar amounts of FR901469 and hydrogen chloride. It is isolated from an unidentified Fungus and exhibits antifungal and antipneumonic activities." [] synonym: "(3R)-3-[(2R,6S,9S,12R,15R,19R,22S,25R,31S,33aS,34S,39S,42R,44aS)-22-(3-aminopropyl)-2,34-dihydroxy-9-(4-hydroxybenzyl)-15,25,39,42-tetrakis[(1R)-1-hydroxyethyl]-12-methyl-5,8,11,14,17,21,24,27,30,33,38,41,44-tridecaoxo-6-(propan-2-yl)-19-tridecyltetracontahydro-1H,5H,21H-dipyrrolo[2,1-:o2',1'-x][1,4,7,10,13,16,19,22,25,28,31,34,37]oxadodecaazacyclotetracontin-31-yl]-3-hydroxypropanamide hydrochloride" EXACT IUPAC_NAME [IUPAC:] synonym: "C71H117ClN14O23" RELATED FORMULA [ChEBI:] synonym: "Cl.CCCCCCCCCCCCC[C@@H]1CC(=O)N[C@H]([C@@H](C)O)C(=O)N[C@H](C)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](C(C)C)C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@H]([C@@H](C)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N2CC[C@H](O)[C@H]2C(=O)N[C@@H]([C@H](O)CC(N)=O)C(=O)NCC(=O)N[C@H]([C@@H](C)O)C(=O)N[C@@H](CCCN)C(=O)O1" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C71H116N14O23.ClH/c1-9-10-11-12-13-14-15-16-17-18-19-21-45-32-52(95)78-55(38(5)86)65(101)75-37(4)61(97)77-47(30-42-23-25-43(90)26-24-42)62(98)80-54(36(2)3)69(105)85-35-44(91)31-48(85)63(99)81-57(40(7)88)67(103)82-58(41(8)89)70(106)84-29-27-49(92)60(84)68(104)83-59(50(93)33-51(73)94)64(100)74-34-53(96)79-56(39(6)87)66(102)76-46(22-20-28-72)71(107)108-45;/h23-26,36-41,44-50,54-60,86-93H,9-22,27-35,72H2,1-8H3,(H2,73,94)(H,74,100)(H,75,101)(H,76,102)(H,77,97)(H,78,95)(H,79,96)(H,80,98)(H,81,99)(H,82,103)(H,83,104);1H/t37-,38-,39-,40-,41-,44-,45-,46+,47+,48+,49+,50-,54+,55-,56-,57-,58+,59+,60+;/m1./s1" RELATED InChI [ChEBI:] synonym: "InChIKey=VZZJOONOWFZKHA-PVFJZINBSA-N" RELATED InChIKey [ChEBI:] xref: CiteXplore:11099224 "PubMed citation" xref: CiteXplore:11099225 "PubMed citation" xref: CiteXplore:11560378 "PubMed citation" xref: Reaxys:8756288 "Reaxys Registry Number" relationship: has_role CHEBI:26619 relationship: has_role CHEBI:22582 is_a: CHEBI:36807 relationship: has_part CHEBI:68659 relationship: has_role CHEBI:35718 [Term] id: CHEBI:70705 name: vilazodone hydrochloride def: "A hydrochloride obtained by reaction of vilazodone with one equivalent of hydrochloric acid. Used for the treatment of major depressive disorder." [] synonym: "Vilazodone HCl" RELATED [ChemIDplus:] synonym: "Viibryd" RELATED BRAND_NAME [KEGG DRUG:] synonym: "4-(2-carbamoyl-1-benzofuran-5-yl)-1-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-1-ium chloride" RELATED [IUPAC:] synonym: "vilazodone monohydrochloride" RELATED [ChEBI:] synonym: "EMD 68 843" RELATED [ChemIDplus:] synonym: "5-{4-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-1-yl}-1-benzofuran-2-carboxamide hydrochloride" EXACT IUPAC_NAME [IUPAC:] synonym: "C26H28ClN5O2" RELATED FORMULA [ChEBI:] synonym: "Cl.NC(=O)c1cc2cc(ccc2o1)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C26H27N5O2.ClH/c27-16-18-4-6-23-22(13-18)19(17-29-23)3-1-2-8-30-9-11-31(12-10-30)21-5-7-24-20(14-21)15-25(33-24)26(28)32;/h4-7,13-15,17,29H,1-3,8-12H2,(H2,28,32);1H" RELATED InChI [ChEBI:] synonym: "InChIKey=RPZBRGFNBNQSOP-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: Reaxys:9830698 "Reaxys Registry Number" xref: DrugBank:DB06684 "DrugBank" xref: ChemIDplus:163521-08-2 "CAS Registry Number" xref: CiteXplore:21752782 "PubMed citation" xref: KEGG DRUG:163521-08-2 "CAS Registry Number" xref: CiteXplore:22935937 "PubMed citation" xref: CiteXplore:22013560 "PubMed citation" xref: CiteXplore:22346333 "PubMed citation" xref: KEGG DRUG:D09699 "KEGG DRUG" is_a: CHEBI:36807 relationship: has_role CHEBI:35469 relationship: has_role CHEBI:50949 relationship: has_role CHEBI:35941 relationship: has_part CHEBI:70706 [Term] id: CHEBI:70732 name: lurasidone hydrochloride def: "A hydrochloride obtained by reaction of lurasidone with one equivalent of hydrochloric acid. An atypical antipsychotic agent used for the treatment of schizophrenia." [] synonym: "Lurasidone HCl" RELATED [ChemIDplus:] synonym: "lurasidone monohydrochloride" RELATED [ChEBI:] synonym: "(3aR,4S,7R,7aS)-2-{[(1R,2R)-2-{[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]methyl}cyclohexyl]methyl}hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione hydrochloride" EXACT IUPAC_NAME [IUPAC:] synonym: "4-(1,2-benzothiazol-3-yl)-1-{[(1R,2R)-2-{[(3aR,4S,7R,7aS)-1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl]methyl}cyclohexyl]methyl}piperazin-1-ium chloride" RELATED [IUPAC:] synonym: "Latuda" RELATED BRAND_NAME [KEGG DRUG:] synonym: "SM 13496" RELATED [KEGG DRUG:] synonym: "C28H37ClN4O2S" RELATED FORMULA [ChEBI:] synonym: "Cl.[H][C@@]12[C@H]3CC[C@H](C3)[C@]1([H])C(=O)N(C[C@@H]1CCCC[C@H]1CN1CCN(CC1)c1nsc3ccccc13)C2=O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C28H36N4O2S.ClH/c33-27-24-18-9-10-19(15-18)25(24)28(34)32(27)17-21-6-2-1-5-20(21)16-30-11-13-31(14-12-30)26-22-7-3-4-8-23(22)35-29-26;/h3-4,7-8,18-21,24-25H,1-2,5-6,9-17H2;1H/t18-,19+,20-,21-,24+,25-;/m0./s1" RELATED InChI [ChEBI:] synonym: "InChIKey=NEKCRUIRPWNMLK-SCIYSFAVSA-N" RELATED InChIKey [ChEBI:] xref: CiteXplore:22072817 "PubMed citation" xref: KEGG DRUG:367514-88-3 "CAS Registry Number" xref: CiteXplore:21372761 "PubMed citation" xref: CiteXplore:22778856 "PubMed citation" xref: Patent:EP1652848 "Patent" xref: CiteXplore:21555300 "PubMed citation" xref: ChemIDplus:367514-88-3 "CAS Registry Number" xref: KEGG DRUG:D04820 "KEGG DRUG" xref: CiteXplore:21446639 "PubMed citation" xref: CiteXplore:22545643 "PubMed citation" xref: Reaxys:14540570 "Reaxys Registry Number" xref: Wikipedia:Lurasidone_hydrochloride "Wikipedia" xref: CiteXplore:22828971 "PubMed citation" xref: CiteXplore:21935296 "PubMed citation" is_a: CHEBI:36807 relationship: has_role CHEBI:48561 relationship: has_role CHEBI:48279 relationship: has_role CHEBI:37887 relationship: has_part CHEBI:70734 relationship: has_role CHEBI:65191 [Term] id: CHEBI:71217 name: pazopanib hydrochloride def: "A hydrochloride salt prepared from equimolar amounts of pazopanib and hydrochloric acid. Used for treatment of kidney cancer." [] synonym: "Votrient" RELATED BRAND_NAME [KEGG DRUG:] synonym: "5-((4-((2,3-Dimethyl-2H-indazol-6-yl)methylamino)pyrimidin-2-yl)amino)-2-methylbenzenesulfonamide monohydrochloride" RELATED [ChemIDplus:] synonym: "GW786034B" RELATED [ChemIDplus:] synonym: "pazopanib HCl" RELATED [ChEBI:] synonym: "pazopanib monohydrochloride" RELATED [ChEBI:] synonym: "5-({4-[(2,3-dimethyl-2H-indazol-6-yl)(methyl)amino]pyrimidin-2-yl}amino)-2-methylbenzenesulfonamide hydrochloride" EXACT IUPAC_NAME [IUPAC:] synonym: "C21H24ClN7O2S" RELATED FORMULA [ChEBI:] synonym: "Cl.CN(c1ccc2c(C)n(C)nc2c1)c1ccnc(Nc2ccc(C)c(c2)S(N)(=O)=O)n1" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C21H23N7O2S.ClH/c1-13-5-6-15(11-19(13)31(22,29)30)24-21-23-10-9-20(25-21)27(3)16-7-8-17-14(2)28(4)26-18(17)12-16;/h5-12H,1-4H3,(H2,22,29,30)(H,23,24,25);1H" RELATED InChI [ChEBI:] synonym: "InChIKey=MQHIQUBXFFAOMK-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: Patent:WO2009062658 "Patent" xref: Patent:WO2006020564 "Patent" xref: ChemIDplus:635702-64-6 "CAS Registry Number" xref: CiteXplore:20189340 "PubMed citation" xref: CiteXplore:20383346 "PubMed citation" xref: CiteXplore:19798455 "PubMed citation" xref: CiteXplore:19229381 "PubMed citation" xref: CiteXplore:22074946 "PubMed citation" xref: Patent:WO2007143483 "Patent" xref: CiteXplore:20043026 "PubMed citation" xref: CiteXplore:20664824 "PubMed citation" xref: CiteXplore:18040531 "PubMed citation" xref: CiteXplore:22679111 "PubMed citation" xref: CiteXplore:22341567 "PubMed citation" xref: CiteXplore:19427156 "PubMed citation" xref: CiteXplore:19967103 "PubMed citation" xref: CiteXplore:19365030 "PubMed citation" xref: Patent:US2008293691 "Patent" xref: Patent:WO2011150044 "Patent" xref: Patent:WO2011069053 "Patent" xref: CiteXplore:19954277 "PubMed citation" xref: CiteXplore:21470066 "PubMed citation" xref: KEGG DRUG:D05380 "KEGG DRUG" xref: KEGG DRUG:635702-64-6 "CAS Registry Number" xref: Reaxys:11572612 "Reaxys Registry Number" xref: CiteXplore:21225019 "PubMed citation" xref: CiteXplore:20407031 "PubMed citation" xref: Patent:WO2007064753 "Patent" xref: Patent:WO2005105094 "Patent" xref: Wikipedia:Pazopanib_hydrochloride "Wikipedia" xref: CiteXplore:22984765 "PubMed citation" xref: CiteXplore:21995103 "PubMed citation" is_a: CHEBI:36807 relationship: has_role CHEBI:35610 relationship: has_role CHEBI:65207 relationship: has_role CHEBI:38637 relationship: has_part CHEBI:71218 relationship: has_role CHEBI:67170 [Term] id: CHEBI:71226 name: telavancin hydrochloride def: "A hydrochloride obtained by combining telavancin and hydrochloric acid. The composition of the compound is telavancin.nHCl where n = 1-3. Used for treatment of adults with complicated skin and skin structure infections caused by bacteria." [] synonym: "telavancin hydrochloride" RELATED INN [ChemIDplus:] synonym: "Td 6424" RELATED [ChemIDplus:] synonym: "Td-6424" RELATED [ChemIDplus:] synonym: "Vibativ" RELATED BRAND_NAME [KEGG DRUG:] synonym: "C80H106C12N11O27P.(HCl)n" RELATED FORMULA [ChEBI:] synonym: "InChI=1S/C80H106Cl2N11O27P.ClH/c1-7-8-9-10-11-12-13-14-21-85-22-23-87-80(5)32-57(115-37(4)71(80)103)119-70-68(102)67(101)55(34-94)118-79(70)120-69-53-28-41-29-54(69)117-52-20-17-40(27-46(52)82)65(99)63-77(109)91-61(78(110)111)43-30-50(96)44(33-86-35-121(112,113)114)66(100)58(43)42-25-38(15-18-49(42)95)59(74(106)93-63)90-75(107)60(41)89-73(105)48(31-56(83)97)88-76(108)62(92-72(104)47(84-6)24-36(2)3)64(98)39-16-19-51(116-53)45(81)26-39;/h15-20,25-30,36-37,47-48,55,57,59-65,67-68,70-71,79,84-87,94-96,98-103H,7-14,21-24,31-35H2,1-6H3,(H2,83,97)(H,88,108)(H,89,105)(H,90,107)(H,91,109)(H,92,104)(H,93,106)(H,110,111)(H2,112,113,114);1H/t37-,47+,48-,55+,57-,59+,60+,61-,62+,63-,64+,65+,67+,68-,70+,71+,79-,80-;/m0./s1" RELATED InChI [ChEBI:] synonym: "InChIKey=GSSIWSIRBWAZHG-ACOPVEIWSA-N" RELATED InChIKey [ChEBI:] xref: CiteXplore:20401351 "PubMed citation" xref: CiteXplore:20208468 "PubMed citation" xref: CiteXplore:14576125 "PubMed citation" xref: KEGG DRUG:D06057 "KEGG DRUG" xref: CiteXplore:20644442 "PubMed citation" xref: CiteXplore:18985183 "PubMed citation" xref: CiteXplore:17073522 "PubMed citation" xref: CiteXplore:15834452 "PubMed citation" xref: CiteXplore:22095369 "PubMed citation" xref: CiteXplore:22095816 "PubMed citation" xref: ChemIDplus:560130-42-9 "CAS Registry Number" xref: CiteXplore:21572764 "PubMed citation" xref: CiteXplore:20199969 "PubMed citation" xref: CiteXplore:19088949 "PubMed citation" xref: CiteXplore:20140276 "PubMed citation" xref: CiteXplore:18850047 "PubMed citation" xref: CiteXplore:16894408 "PubMed citation" xref: CiteXplore:21137625 "PubMed citation" xref: KEGG DRUG:560130-42-9 "CAS Registry Number" xref: Reaxys:9988179 "Reaxys Registry Number" is_a: CHEBI:36807 relationship: has_role CHEBI:36047 relationship: has_role CHEBI:22582 relationship: has_part CHEBI:71229 [Term] id: CHEBI:71419 name: phenazopyridine hydrochloride def: "A hydrochloride obtained by combining phenazopyridine with one equivalent of hydrochloric acid. A local anesthetic that has topical analgesic effect on mucosa lining of the urinary tract. Its use is limited by problems with toxicity (primarily blood disorders) and potential carcinogenicity." [] synonym: "3-(phenyldiazenyl)pyridine-2,6-diamine hydrochloride" EXACT IUPAC_NAME [IUPAC:] synonym: "3-(Phenylazo)-2,6-pyridinediamine hydrochloride" RELATED [ChemIDplus:] synonym: "Phenazopyridine HCl" RELATED [ChemIDplus:] synonym: "2,6-Diamino-3-phenylazopyridine hydrochloride" RELATED [ChemIDplus:] synonym: "3-Phenylazo-2,6-diaminopyridine hydrochloride" RELATED [ChemIDplus:] synonym: "phenazopyridine monohydrochloride" RELATED [ChEBI:] synonym: "2,6-Diamino-3-(phenylazo)pyridine monohydrochloride" RELATED [ChemIDplus:] synonym: "Phenazopyridinium chloride" RELATED [ChemIDplus:] synonym: "C11H12ClN5" RELATED FORMULA [ChEBI:] synonym: "Cl.Nc1ccc(N=Nc2ccccc2)c(N)n1" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C11H11N5.ClH/c12-10-7-6-9(11(13)14-10)16-15-8-4-2-1-3-5-8;/h1-7H,(H4,12,13,14);1H" RELATED InChI [ChEBI:] synonym: "InChIKey=QQBPIHBUCMDKFG-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: CiteXplore:16466130 "PubMed citation" xref: Patent:DE515781 "Patent" xref: Wikipedia:Phenazopyridine_hydrochloride "Wikipedia" xref: CiteXplore:633496 "PubMed citation" xref: CiteXplore:7178218 "PubMed citation" xref: CiteXplore:4178260 "PubMed citation" xref: Patent:US1680108 "Patent" xref: Patent:US1680110 "Patent" xref: CiteXplore:18967703 "PubMed citation" xref: Patent:US1680111 "Patent" xref: CiteXplore:21376167 "PubMed citation" xref: CiteXplore:21863079 "PubMed citation" xref: Patent:WO2010038153 "Patent" xref: CiteXplore:2922627 "PubMed citation" xref: CiteXplore:17020148 "PubMed citation" xref: CiteXplore:6483945 "PubMed citation" xref: Reaxys:4924060 "Reaxys Registry Number" xref: ChemIDplus:136-40-3 "CAS Registry Number" xref: CiteXplore:19376664 "PubMed citation" xref: CiteXplore:19937817 "PubMed citation" xref: CiteXplore:6868236 "PubMed citation" xref: Patent:US1680109 "Patent" xref: CiteXplore:7362105 "PubMed citation" xref: CiteXplore:12806392 "PubMed citation" xref: CiteXplore:1902415 "PubMed citation" xref: KEGG DRUG:D05450 "KEGG DRUG" xref: KEGG COMPOUND:C19290 "KEGG COMPOUND" xref: KEGG DRUG:136-40-3 "CAS Registry Number" xref: Patent:US2008255062 "Patent" xref: CiteXplore:19941709 "PubMed citation" xref: CiteXplore:18051539 "PubMed citation" xref: CiteXplore:1760061 "PubMed citation" xref: CiteXplore:4086443 "PubMed citation" is_a: CHEBI:36807 relationship: has_role CHEBI:50903 relationship: has_role CHEBI:36333 relationship: has_role CHEBI:35481 relationship: has_part CHEBI:71420 [Term] id: CHEBI:71428 name: procarbazine hydrochloride alt_id: CHEBI:8433 def: "A hydrochloride obtained by combining procarbazine with one equivalent of hydrochloric acid. An antineoplastic chemotherapy drug used for treatment of Hodgkin's lymphoma. Metabolism yields azo-procarbazine and hydrogen peroxide, which results in the breaking of DNA strands." [] synonym: "1-Methyl-2-(p-isopropylcarbamoylbenzyl)hydrazine hydrochloride" RELATED [ChemIDplus:] synonym: "procarbazine monohydrochloride" RELATED [ChEBI:] synonym: "N-(1-methylethyl)-4-[(2-methylhydrazino)methyl]benzamide hydrochloride" EXACT IUPAC_NAME [IUPAC:] synonym: "1-Methyl-2-p-(isopropylcarbamoyl)benzohydrazine hydrochloride" RELATED [ChemIDplus:] synonym: "1-(p-Isopropylcarbamoylbenzyl)-2-methylhydrazine hydrochloride" RELATED [ChemIDplus:] synonym: "N-Isopropyl-alpha-(2-methylhydrazino)-p-toluamide hydrochloride" RELATED [ChemIDplus:] synonym: "2-(p-(Isopropylcarbamoyl)benzyl)-1-methylhydrazine hydrochloride" RELATED [ChemIDplus:] synonym: "Procarbazine HCl" RELATED [ChemIDplus:] synonym: "N-Isopropyl-p-(2-methylhydrazinomethyl)benzamide hydrochloride" RELATED [ChemIDplus:] synonym: "C12H20ClN3O" RELATED FORMULA [ChEBI:] synonym: "Cl.CNNCc1ccc(cc1)C(=O)NC(C)C" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C12H19N3O.ClH/c1-9(2)15-12(16)11-6-4-10(5-7-11)8-14-13-3;/h4-7,9,13-14H,8H2,1-3H3,(H,15,16);1H" RELATED InChI [ChEBI:] synonym: "InChIKey=DERJYEZSLHIUKF-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: CiteXplore:21863086 "PubMed citation" xref: CiteXplore:4927302 "PubMed citation" xref: Reaxys:4024454 "Reaxys Registry Number" xref: CiteXplore:21603918 "PubMed citation" xref: CiteXplore:1097949 "PubMed citation" xref: CiteXplore:323527 "PubMed citation" xref: CiteXplore:3185586 "PubMed citation" xref: CiteXplore:3838228 "PubMed citation" xref: ChemIDplus:366-70-1 "CAS Registry Number" xref: Patent:GB2480472 "Patent" xref: CiteXplore:1209725 "PubMed citation" xref: CiteXplore:2607014 "PubMed citation" xref: CiteXplore:7380952 "PubMed citation" xref: CiteXplore:7416483 "PubMed citation" xref: KEGG DRUG:D00478 "KEGG DRUG" xref: DrugBank:DB01168 "DrugBank" xref: CiteXplore:62854 "PubMed citation" xref: CiteXplore:7022795 "PubMed citation" xref: CiteXplore:3687991 "PubMed citation" xref: CiteXplore:16690522 "PubMed citation" xref: Patent:WO2008100985 "Patent" xref: CiteXplore:20412004 "PubMed citation" xref: CiteXplore:2747729 "PubMed citation" xref: CiteXplore:7384804 "PubMed citation" xref: Patent:WO2005072705 "Patent" xref: CiteXplore:792579 "PubMed citation" xref: CiteXplore:641741 "PubMed citation" xref: CiteXplore:713008 "PubMed citation" xref: CiteXplore:843152 "PubMed citation" xref: CiteXplore:3079944 "PubMed citation" xref: KEGG COMPOUND:C07376 "KEGG COMPOUND" xref: KEGG COMPOUND:366-70-1 "CAS Registry Number" is_a: CHEBI:36807 relationship: has_role CHEBI:35610 relationship: has_part CHEBI:71431 [Term] id: CHEBI:71956 name: retaspimycin hydrochloride def: "A hydrochloride that is the monohydrochloride salt of retaspimycin. A semi-synthetic water-soluble analogue of geldanamycin used in cancer treatment." [] synonym: "retaspimycin monohydrochloride" RELATED [ChEBI:] synonym: "IPI 504" RELATED [ChemIDplus:] synonym: "17-Allylamino-17-demethoxygeldanamycin hydroquinone hydrochloride" RELATED [ChemIDplus:] synonym: "(4E,6Z,8S,9S,10E,12S,13R,14S,16R)-19-(allylamino)-13,20,22-trihydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3-oxo-2-azabicyclo[16.3.1]docosa-1(22),4,6,10,18,20-hexaen-9-yl carbamate hydrochloride" EXACT IUPAC_NAME [IUPAC:] synonym: "IPI-504" RELATED [SUBMITTER:] synonym: "C31H45N3O8.HCl" RELATED FORMULA [ChEBI:] synonym: "C31H46ClN3O8" RELATED FORMULA [ChEBI:] synonym: "Cl.CO[C@H]1C[C@H](C)Cc2c(O)c(NC(=O)\\C(C)=C\\C=C/[C@H](OC)[C@@H](OC(N)=O)\\C(C)=C\\[C@H](C)[C@H]1O)cc(O)c2NCC=C" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C31H45N3O8.ClH/c1-8-12-33-26-21-13-17(2)14-25(41-7)27(36)19(4)15-20(5)29(42-31(32)39)24(40-6)11-9-10-18(3)30(38)34-22(28(21)37)16-23(26)35;/h8-11,15-17,19,24-25,27,29,33,35-37H,1,12-14H2,2-7H3,(H2,32,39)(H,34,38);1H/b11-9-,18-10+,20-15+;/t17-,19+,24+,25+,27-,29+;/m1./s1" RELATED InChI [ChEBI:] synonym: "InChIKey=OIRUWDYJGMHDHJ-AFXVCOSJSA-N" RELATED InChIKey [ChEBI:] xref: CiteXplore:20383346 "PubMed citation" xref: CiteXplore:17090671 "PubMed citation" xref: CiteXplore:18852131 "PubMed citation" xref: CiteXplore:17395781 "PubMed citation" xref: CiteXplore:21106982 "PubMed citation" xref: KEGG DRUG:D09376 "KEGG DRUG" xref: CiteXplore:23199899 "PubMed citation" xref: CiteXplore:21907929 "PubMed citation" xref: CiteXplore:20940293 "PubMed citation" xref: CiteXplore:19036086 "PubMed citation" xref: Patent:US2008255080 "Patent" xref: ChemIDplus:857402-63-2 "CAS Registry Number" xref: CiteXplore:21383049 "PubMed citation" xref: CiteXplore:21258415 "PubMed citation" xref: CiteXplore:19642950 "PubMed citation" xref: CiteXplore:20191425 "PubMed citation" xref: CiteXplore:18794084 "PubMed citation" xref: CiteXplore:18644253 "PubMed citation" xref: SUBMITTER:17624530 "PubMed citation" xref: Reaxys:11329862 "Reaxys Registry Number" xref: CiteXplore:21851215 "PubMed citation" xref: CiteXplore:21762967 "PubMed citation" xref: CiteXplore:22652777 "PubMed citation" xref: CiteXplore:19860734 "PubMed citation" xref: CiteXplore:20940188 "PubMed citation" xref: Patent:WO2010135426 "Patent" xref: Patent:WO2005063714 "Patent" xref: CiteXplore:22246317 "PubMed citation" xref: CiteXplore:19952119 "PubMed citation" xref: CiteXplore:19671750 "PubMed citation" xref: CiteXplore:21825009 "PubMed citation" relationship: has_role CHEBI:63962 is_a: CHEBI:36807 relationship: has_role CHEBI:35610 relationship: has_part CHEBI:71974 relationship: has_functional_parent CHEBI:5292 [Term] id: CHEBI:28786 name: paraquat dichloride alt_id: CHEBI:25856 alt_id: CHEBI:6861 def: "An organic chloride salt that has formula C12H14N2.2Cl." [] synonym: "1,1'-Dimethyl-4,4'-dipyridylium dichloride" RELATED [ChemIDplus:] synonym: "N,N'-Dimethyl-4,4'-bipyridinium dichloride" RELATED [ChemIDplus:] synonym: "4,4'-Dimethyldipyridyl dichloride" RELATED [ChemIDplus:] synonym: "Methyl viologen dichloride" RELATED [ChemIDplus:] synonym: "N,N'-Dimethyl-4,4'-bipyridylium dichloride" RELATED [ChEBI:] synonym: "1,1'-dimethyl-[4,4'-bipyridin]-1,1'-diium dichloride" EXACT IUPAC_NAME [IUPAC:] synonym: "1,1'-Dimethyl-4,4'-bipyridinium dichloride" RELATED [KEGG COMPOUND:] synonym: "Methyl viologen" RELATED [KEGG COMPOUND:] synonym: "Paraquat dichloride" EXACT [KEGG COMPOUND:] synonym: "C12H14N2.2Cl" RELATED FORMULA [KEGG COMPOUND:] synonym: "[Cl-].[Cl-].C[n+]1ccc(cc1)-c1cc[n+](C)cc1" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C12H14N2.2ClH/c1-13-7-3-11(4-8-13)12-5-9-14(2)10-6-12;;/h3-10H,1-2H3;2*1H/q+2;;/p-2" RELATED InChI [ChEBI:] synonym: "InChIKey=FIKAKWIAUPDISJ-UHFFFAOYSA-L" RELATED InChIKey [ChEBI:] xref: ChemIDplus:1910-42-5 "CAS Registry Number" xref: KEGG COMPOUND:1910-42-5 "CAS Registry Number" xref: KEGG COMPOUND:C00225 "KEGG COMPOUND" relationship: has_role CHEBI:24527 relationship: has_part CHEBI:34905 is_a: CHEBI:36094 relationship: has_role CHEBI:26088 [Term] id: CHEBI:38696 name: anthocyanidin chloride def: "An organic chloride salt of any anthocyanidin." [] synonym: "anthocyanidin chlorides" RELATED [ChEBI:] synonym: "[Cl-].[*]c1c([*])c([*])c(c([*])c1[*])-c1[o+]c2c([*])c([*])c([*])c([*])c2c([*])c1[*]" RELATED SMILES [ChEBI:] is_a: CHEBI:38695 is_a: CHEBI:36094 [Term] id: CHEBI:37648 name: luteolinidin chloride def: "An anthocyanidin chloride that has luteolinidin as the cationic counterpart." [] synonym: "2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-1-benzopyrylium chloride" RELATED [ChemIDplus:] synonym: "2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenylium chloride" EXACT IUPAC_NAME [IUPAC:] synonym: "C15H11ClO5" RELATED FORMULA [ChEBI:] synonym: "[Cl-].Oc1cc(O)c2ccc([o+]c2c1)-c1ccc(O)c(O)c1" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C15H10O5.ClH/c16-9-6-12(18)10-2-4-14(20-15(10)7-9)8-1-3-11(17)13(19)5-8;/h1-7H,(H3-,16,17,18,19);1H" RELATED InChI [ChEBI:] synonym: "InChIKey=MMAGHFOHXGFQRZ-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: CiteXplore:19924259 "PubMed citation" xref: CiteXplore:IND44106167 "Agricola citation" xref: Reaxys:3922944 "Reaxys Registry Number" xref: Beilstein:3922944 "Beilstein Registry Number" xref: ChemIDplus:1154-78-5 "CAS Registry Number" relationship: has_part CHEBI:6584 is_a: CHEBI:38696 [Term] id: CHEBI:28510 name: pelargonidin chloride alt_id: CHEBI:7950 def: "An anthocyanidin chloride that has pelargonidin as the cationic counterpart." [] synonym: "3,5,7-trihydroxy-2-(4-hydroxyphenyl)-1-benzopyrylium chloride" RELATED [ChemIDplus:] synonym: "3,5,7-trihydroxy-2-(4-hydroxyphenyl)chromenylium chloride" EXACT IUPAC_NAME [IUPAC:] synonym: "Pelargonidin chloride" EXACT [KEGG COMPOUND:] synonym: "Pelargonidol chloride" RELATED [KEGG COMPOUND:] synonym: "Pelargonidin" RELATED [KEGG COMPOUND:] synonym: "3,4',5,7-Tetrahydroxyflavylium chloride" RELATED [KEGG COMPOUND:] synonym: "3,5,7-Trihydroxy-2-(4-hydroxyphenyl)benzopyrylium chloride" RELATED [KEGG COMPOUND:] synonym: "C15H11ClO5" RELATED FORMULA [ChEBI:] synonym: "[Cl-].Oc1ccc(cc1)-c1[o+]c2cc(O)cc(O)c2cc1O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C15H10O5.ClH/c16-9-3-1-8(2-4-9)15-13(19)7-11-12(18)5-10(17)6-14(11)20-15;/h1-7H,(H3-,16,17,18,19);1H" RELATED InChI [ChEBI:] synonym: "InChIKey=YPVZJXMTXCOTJN-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: Reaxys:3922945 "Reaxys Registry Number" xref: ChemIDplus:134-04-3 "CAS Registry Number" xref: Beilstein:3922945 "Beilstein Registry Number" xref: KEGG COMPOUND:C05904 "KEGG COMPOUND" xref: KEGG COMPOUND:134-04-3 "CAS Registry Number" relationship: has_part CHEBI:25863 is_a: CHEBI:38696 [Term] id: CHEBI:38701 name: delphinidin chloride def: "An anthocyanidin chloride that has delphinidin as the cationic counterpart." [] synonym: "3,3',4',5,5',7-hexahydroxy-2-phenylbenzopyrylium chloride" RELATED [ChEBI:] synonym: "Delphinidin" RELATED [ChemIDplus:] synonym: "Delphinidol" RELATED [ChemIDplus:] synonym: "3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)chromenium chloride" EXACT IUPAC_NAME [IUPAC:] synonym: "3,3',4',5,5',7-Hexahydroxy-2-phenylbenzopyrylium chloride" RELATED [KEGG COMPOUND:] synonym: "3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)benzopyrylium chloride" RELATED [KEGG COMPOUND:] synonym: "Delphinidine" RELATED [ChemIDplus:] synonym: "3,3',4',5,5',7-Hexahydroxyflavylium chloride" RELATED [KEGG COMPOUND:] synonym: "delfinidol chloride" RELATED [KEGG COMPOUND:] synonym: "C15H11ClO7" RELATED FORMULA [ChEBI:] synonym: "[Cl-].Oc1cc(O)c2cc(O)c([o+]c2c1)-c1cc(O)c(O)c(O)c1" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C15H10O7.ClH/c16-7-3-9(17)8-5-12(20)15(22-13(8)4-7)6-1-10(18)14(21)11(19)2-6;/h1-5H,(H5-,16,17,18,19,20,21);1H" RELATED InChI [ChEBI:] synonym: "InChIKey=FFNDMZIBVDSQFI-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: Patent:EP0390496 "Patent" xref: ChemIDplus:528-53-0 "CAS Registry Number" xref: CiteXplore:21067181 "PubMed citation" xref: Reaxys:3897606 "Reaxys Registry Number" xref: CiteXplore:20558131 "PubMed citation" xref: CiteXplore:667963 "PubMed citation" xref: HMDB:HMDB03074 "HMDB" is_a: CHEBI:38696 relationship: has_part CHEBI:28436 [Term] id: CHEBI:6872 name: methylene blue def: "An organic chloride salt that has formula C16H18N3S.Cl." [] synonym: "Methylene blue" EXACT [KEGG COMPOUND:] synonym: "methylthioninium chloride" RELATED INN [ChemIDplus:] synonym: "Basic Blue 9" RELATED [ChemIDplus:] synonym: "Methylenblau" RELATED [ChemIDplus:] synonym: "cloruro de metiltioninio" RELATED INN [ChemIDplus:] synonym: "azul de metileno" RELATED [ChEBI:] synonym: "methylthioninii chloridum" RELATED INN [ChemIDplus:] synonym: "chlorure de methylthioninium" RELATED INN [ChemIDplus:] synonym: "3,7-bis(dimethylamino)phenothiazin-5-ium chloride" EXACT IUPAC_NAME [IUPAC:] synonym: "Methylene Blue anhydrous" RELATED [ChemIDplus:] synonym: "bleu de methylene" RELATED [ChemIDplus:] synonym: "C16H18N3S.Cl" RELATED FORMULA [KEGG COMPOUND:] synonym: "[Cl-].CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C16H18N3S.ClH/c1-18(2)11-5-7-13-15(9-11)20-16-10-12(19(3)4)6-8-14(16)17-13;/h5-10H,1-4H3;1H/q+1;/p-1" RELATED InChI [ChEBI:] synonym: "InChIKey=CXKWCBBOMKCUKX-UHFFFAOYSA-M" RELATED InChIKey [ChEBI:] xref: KEGG COMPOUND:61-73-4 "CAS Registry Number" xref: Wikipedia:Methylene_blue "Wikipedia" xref: KEGG COMPOUND:C00220 "KEGG COMPOUND" xref: ChemIDplus:61-73-4 "CAS Registry Number" xref: Beilstein:3599847 "Beilstein Registry Number" is_a: CHEBI:36094 relationship: has_role CHEBI:38623 relationship: has_part CHEBI:43830 relationship: has_role CHEBI:50407 relationship: has_role CHEBI:51217 [Term] id: CHEBI:9505 name: nitro blue tetrazolium dichloride def: "An organic chloride salt having nitro blue tetrazolium(2+) as the counterion." [] synonym: "3,3'-[3,3'-dimethoxy(1,1'-biphenyl)-4,4'-diyl]bis[2-(4-nitrophenyl)-5-phenyl-2H-tetrazolium] dichloride" RELATED [ChemIDplus:] synonym: "NBT" RELATED [ChemIDplus:] synonym: "p-nitro blue tetrazolium chloride" RELATED [ChemIDplus:] synonym: "Nitroblue tetrazolium chloride" RELATED [ChemIDplus:] synonym: "Nitro blue tetrazolium" RELATED [KEGG COMPOUND:] synonym: "5,5'-diphenyl-3,3'-bis(4-nitrophenyl)-2,2'-(3,3'-dimethoxybiphenyl-4,4'-ylene)ditetrazolium dichloride" RELATED [ChemIDplus:] synonym: "3,3'-(3,3'-dimethoxy-[1,1'-biphenyl]-4,4'-diyl)bis[2-(4-nitrophenyl)-5-phenyl-2H-tetrazol-3-ium] dichloride" EXACT IUPAC_NAME [IUPAC:] synonym: "2,2'-(3,3'-dimethoxy-[1,1'-biphenyl]-4,4'-diyl)bis[3-(4-nitrophenyl)-5-phenyl-2H-tetrazol-3-ium] dichloride" RELATED [IUPAC:] synonym: "Nitro Blue tetrazolium chloride" RELATED [ChemIDplus:] synonym: "C40H30Cl2N10O6" RELATED FORMULA [ChEBI:] synonym: "C40H30N10O6.2Cl" RELATED FORMULA [KEGG COMPOUND:] synonym: "[Cl-].[Cl-].COc1cc(ccc1-[n+]1nc(nn1-c1ccc(cc1)[N+]([O-])=O)-c1ccccc1)-c1ccc(c(OC)c1)-[n+]1nc(nn1-c1ccc(cc1)[N+]([O-])=O)-c1ccccc1" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C40H30N10O6.2ClH/c1-55-37-25-29(13-23-35(37)47-43-39(27-9-5-3-6-10-27)41-45(47)31-15-19-33(20-16-31)49(51)52)30-14-24-36(38(26-30)56-2)48-44-40(28-11-7-4-8-12-28)42-46(48)32-17-21-34(22-18-32)50(53)54;;/h3-26H,1-2H3;2*1H/q+2;;/p-2" RELATED InChI [ChEBI:] synonym: "InChIKey=FSVCQIDHPKZJSO-UHFFFAOYSA-L" RELATED InChIKey [ChEBI:] xref: KEGG COMPOUND:298-83-9 "CAS Registry Number" xref: Beilstein:4115923 "Beilstein Registry Number" xref: ChemIDplus:298-83-9 "CAS Registry Number" xref: KEGG COMPOUND:C13503 "KEGG COMPOUND" is_a: CHEBI:36094 relationship: has_part CHEBI:7586 [Term] id: CHEBI:8355 name: pralidoxime chloride def: "A pyridinium salt that has formula C7H9N2OCl." [] synonym: "2-[(E)-(hydroxyimino)methyl]-1-methylpyridinium chloride" EXACT IUPAC_NAME [IUPAC:] synonym: "Protopam" RELATED BRAND_NAME [DrugBank:] synonym: "Pralidoxine chloride" RELATED [ChemIDplus:] synonym: "C7H9N2OCl" RELATED FORMULA [ChEBI:] synonym: "C7H9N2O.Cl" RELATED FORMULA [KEGG DRUG:] synonym: "[Cl-].C[n+]1ccccc1\\C=N\\O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C7H8N2O.ClH/c1-9-5-3-2-4-7(9)6-8-10;/h2-6H,1H3;1H" RELATED InChI [ChEBI:] synonym: "InChIKey=HIGSLXSBYYMVKI-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: Beilstein:4359128 "Beilstein Registry Number" xref: ChemIDplus:51-15-0 "CAS Registry Number" xref: KEGG DRUG:D00469 "KEGG DRUG" xref: Patent:US3140289 "Patent" xref: Patent:US3155674 "Patent" xref: Patent:US2816113 "Patent" xref: DrugBank:DB00733 "DrugBank" xref: Wikipedia:Pralidoxime_Chloride "Wikipedia" relationship: has_part CHEBI:8354 relationship: has_role CHEBI:50241 relationship: has_role CHEBI:38323 is_a: CHEBI:38188 is_a: CHEBI:36094 [Term] id: CHEBI:50506 name: phentermine hydrochloride def: "An organic chloride salt that has formula C10H15N.HCl." [] synonym: "2-methyl-1-phenylpropan-2-aminium chloride" EXACT IUPAC_NAME [IUPAC:] synonym: "Phenyl-t-butylamine hydrochloride" RELATED [ChemIDplus:] synonym: "Adipex-P" RELATED BRAND_NAME [DrugBank:] synonym: "Benzeneethanamine, alpha,alpha-dimethyl, hydrochloride" RELATED [ChemIDplus:] synonym: "1-Phenyl-2-methyl-2-aminopropane hydrochloride" RELATED [ChemIDplus:] synonym: "C10H15N.HCl" RELATED FORMULA [KEGG DRUG:] synonym: "C10H16ClN" RELATED FORMULA [ChEBI:] synonym: "[Cl-].CC(C)([NH3+])Cc1ccccc1" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C10H15N.ClH/c1-10(2,11)8-9-6-4-3-5-7-9;/h3-7H,8,11H2,1-2H3;1H" RELATED InChI [ChEBI:] synonym: "InChIKey=NCAIGTHBQTXTLR-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: DrugBank:DB00191 "DrugBank" xref: Beilstein:3912379 "Beilstein Registry Number" xref: KEGG DRUG:D05459 "KEGG DRUG" xref: ChemIDplus:1197-21-3 "CAS Registry Number" relationship: has_part CHEBI:8080 is_a: CHEBI:36094 [Term] id: CHEBI:32735 name: guanidinium chloride def: "An organic chloride salt that has formula CH6ClN3." [] synonym: "guanidinium chloride" EXACT IUPAC_NAME [IUPAC:] synonym: "GuCl" RELATED [ChEBI:] synonym: "CH6ClN3" RELATED FORMULA [ChEBI:] synonym: "[Cl-].NC(N)=[NH2+]" RELATED SMILES [ChEBI:] synonym: "InChI=1S/CH5N3.ClH/c2-1(3)4;/h(H5,2,3,4);1H" RELATED InChI [ChEBI:] synonym: "InChIKey=PJJJBBJSCAKJQF-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: Gmelin:40356 "Gmelin Registry Number" relationship: has_role CHEBI:50533 relationship: has_part CHEBI:30087 is_a: CHEBI:36094 is_a: CHEBI:64708 [Term] id: CHEBI:33601 name: phenosafranine def: "A phenazine that has formula C18H15ClN4." [] synonym: "3,7-diamino-5-phenylphenazin-5-ium chloride" EXACT IUPAC_NAME [IUPAC:] synonym: "Phenosafranine, chloride" RELATED [ChemIDplus:] synonym: "3,7-Diamino-5-phenylphenazinium chloride" RELATED [ChemIDplus:] synonym: "Phenosafranin" RELATED [ChemIDplus:] synonym: "C18H15ClN4" RELATED FORMULA [ChemIDplus:] synonym: "[Cl-].Nc1ccc2nc3ccc(N)cc3[n+](-c3ccccc3)c2c1" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C18H14N4.ClH/c19-12-6-8-15-17(10-12)22(14-4-2-1-3-5-14)18-11-13(20)7-9-16(18)21-15;/h1-11H,(H3,19,20);1H" RELATED InChI [ChEBI:] synonym: "InChIKey=SOUHUMACVWVDME-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: Beilstein:3642082 "Beilstein Registry Number" xref: ChemIDplus:81-93-6 "CAS Registry Number" is_a: CHEBI:36094 is_a: CHEBI:39201 [Term] id: CHEBI:38004 name: 1,1'-diethyl-2,2'-cyanine chloride def: "A 1,1'-diethyl-2,2'-cyanine halide that has formula C23H23ClN2." [] synonym: "1-ethyl-2-{[1-ethylquinolin-2(1H)-ylidene]methyl}quinolinium chloride" EXACT IUPAC_NAME [IUPAC:] synonym: "2,2'-quinocyanine chloride" RELATED [ChemIDplus:] synonym: "N,N'-diethylpseudoisocyanine chloride" RELATED [ChemIDplus:] synonym: "pseudoisocyanine chloride" RELATED [ChemIDplus:] synonym: "1,1'-diethyl-2,2'-cyanine chloride" EXACT [ChemIDplus:] synonym: "C23H23ClN2" RELATED FORMULA [ChEBI:] synonym: "[Cl-].[H]C(=C1C=Cc2ccccc2N1CC)c1ccc2ccccc2[n+]1CC" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C23H23N2.ClH/c1-3-24-20(15-13-18-9-5-7-11-22(18)24)17-21-16-14-19-10-6-8-12-23(19)25(21)4-2;/h5-17H,3-4H2,1-2H3;1H/q+1;/p-1" RELATED InChI [ChEBI:] synonym: "InChIKey=MHQOURYMHSSLDM-UHFFFAOYSA-M" RELATED InChIKey [ChEBI:] xref: ChemIDplus:2402-42-8 "CAS Registry Number" xref: Beilstein:3581586 "Beilstein Registry Number" is_a: CHEBI:38003 is_a: CHEBI:36094 [Term] id: CHEBI:21184 name: Janus Green B chloride def: "An organic chloride salt that has formula C30H31ClN6." [] synonym: "3-(diethylamino)-7-((4-(dimethylamino)phenyl)azo)-5-phenylphenazinium chloride" RELATED [ChemIDplus:] synonym: "Janus Green V" RELATED [ChemIDplus:] synonym: "3-(diethylamino)-7-((p-(dimethylamino)phenyl)azo)-5-phenylphenazinium chloride" RELATED [ChemIDplus:] synonym: "3-(diethylamino)-7-{(E)-[4-(dimethylamino)phenyl]diazenyl}-5-phenylphenazin-5-ium chloride" EXACT IUPAC_NAME [IUPAC:] synonym: "Janus Green B" RELATED [ChemIDplus:] synonym: "C30H31ClN6" RELATED FORMULA [ChEBI:] synonym: "[Cl-].CCN(CC)c1ccc2nc3ccc(cc3[n+](-c3ccccc3)c2c1)\\N=N\\c1ccc(cc1)N(C)C" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C30H31N6.ClH/c1-5-35(6-2)26-17-19-28-30(21-26)36(25-10-8-7-9-11-25)29-20-23(14-18-27(29)31-28)33-32-22-12-15-24(16-13-22)34(3)4;/h7-21H,5-6H2,1-4H3;1H/q+1;/p-1" RELATED InChI [ChEBI:] synonym: "InChIKey=XXACTDWGHQXLGW-UHFFFAOYSA-M" RELATED InChIKey [ChEBI:] xref: ChemIDplus:2869-83-2 "CAS Registry Number" xref: Patent:US2882209 "Patent" xref: Beilstein:9748061 "Beilstein Registry Number" is_a: CHEBI:36094 relationship: has_role CHEBI:37958 relationship: has_part CHEBI:51070 [Term] id: CHEBI:48601 name: carnitinamide chloride def: "An organic chloride salt that has formula C7H17N2O2.Cl." [] synonym: "(3-Carboxy-2-hydroxypropyl)trimethylammonium chloride" RELATED [ChemIDplus:] synonym: "4-amino-2-hydroxy-N,N,N-trimethyl-4-oxobutan-1-aminium chloride" EXACT IUPAC_NAME [IUPAC:] synonym: "4-amino-2-hydroxy-N,N,N-trimethyl-4-oxobutan-1-aminium chloride" RELATED [IUPAC:] synonym: "1-Propanaminium, 3-carboxy-2-hydroxy-N,N,N-trimethyl-, chloride" RELATED [ChemIDplus:] synonym: "Bicarnesine" RELATED [ChemIDplus:] synonym: "C7H17N2O2.Cl" RELATED FORMULA [ChEBI:] synonym: "C7H17ClN2O2" RELATED FORMULA [ChEBI:] synonym: "[Cl-].C[N+](C)(C)CC(O)CC(N)=O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C7H16N2O2.ClH/c1-9(2,3)5-6(10)4-7(8)11;/h6,10H,4-5H2,1-3H3,(H-,8,11);1H" RELATED InChI [ChEBI:] synonym: "InChIKey=MVOVUKIZAZCBRK-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: Beilstein:4163618 "Beilstein Registry Number" xref: Patent:EP1852416 "Patent" xref: ChemIDplus:461-05-2 "CAS Registry Number" relationship: has_part CHEBI:48604 is_a: CHEBI:36094 [Term] id: CHEBI:48602 name: (R)-carnitinamide chloride def: "A carnitinamide chloride that has formula C7H17N2O2.Cl." [] synonym: "(2R)-4-amino-2-hydroxy-N,N,N-trimethyl-4-oxobutan-1-aminium chloride" EXACT IUPAC_NAME [IUPAC:] synonym: "L-carnitinamide chloride" RELATED [ChEBI:] synonym: "C7H17N2O2.Cl" RELATED FORMULA [ChEBI:] synonym: "C7H17ClN2O2" RELATED FORMULA [ChEBI:] synonym: "[Cl-].C[N+](C)(C)C[C@H](O)CC(N)=O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C7H16N2O2.ClH/c1-9(2,3)5-6(10)4-7(8)11;/h6,10H,4-5H2,1-3H3,(H-,8,11);1H/t6-;/m1./s1" RELATED InChI [ChEBI:] synonym: "InChIKey=MVOVUKIZAZCBRK-FYZOBXCZSA-N" RELATED InChIKey [ChEBI:] xref: Beilstein:5779458 "Beilstein Registry Number" xref: Patent:EP1852416 "Patent" is_a: CHEBI:48601 relationship: is_enantiomer_of CHEBI:48603 relationship: has_part CHEBI:17159 [Term] id: CHEBI:48603 name: (S)-carnitinamide chloride def: "A carnitinamide chloride that has formula C7H17N2O2.Cl." [] synonym: "(2S)-4-amino-2-hydroxy-N,N,N-trimethyl-4-oxobutan-1-aminium chloride" EXACT IUPAC_NAME [IUPAC:] synonym: "D-carnitinamide chloride" RELATED [ChEBI:] synonym: "C7H17N2O2.Cl" RELATED FORMULA [ChEBI:] synonym: "C7H17ClN2O2" RELATED FORMULA [ChEBI:] synonym: "[Cl-].C[N+](C)(C)C[C@@H](O)CC(N)=O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C7H16N2O2.ClH/c1-9(2,3)5-6(10)4-7(8)11;/h6,10H,4-5H2,1-3H3,(H-,8,11);1H/t6-;/m0./s1" RELATED InChI [ChEBI:] synonym: "InChIKey=MVOVUKIZAZCBRK-RGMNGODLSA-N" RELATED InChIKey [ChEBI:] xref: Beilstein:5779459 "Beilstein Registry Number" xref: Patent:EP1852416 "Patent" is_a: CHEBI:48601 relationship: is_enantiomer_of CHEBI:48602 relationship: has_part CHEBI:50447 [Term] id: CHEBI:9703 name: tridihexethyl chloride def: "An organic chloride salt that has formula C21H36NO.Cl." [] synonym: "3-cyclohexyl-N,N,N-triethyl-3-hydroxy-3-phenylpropan-1-aminium chloride" EXACT IUPAC_NAME [IUPAC:] synonym: "(3-Cyclohexyl-3-hydroxy-3-phenylpropyl)triethylammonium chloride" RELATED [ChemIDplus:] synonym: "C21H36NO.Cl" RELATED FORMULA [KEGG DRUG:] synonym: "[Cl-].CC[N+](CC)(CC)CCC(O)(C1CCCCC1)c1ccccc1" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C21H36NO.ClH/c1-4-22(5-2,6-3)18-17-21(23,19-13-9-7-10-14-19)20-15-11-8-12-16-20;/h7,9-10,13-14,20,23H,4-6,8,11-12,15-18H2,1-3H3;1H/q+1;/p-1" RELATED InChI [ChEBI:] synonym: "InChIKey=XJGONMZLEDGBRM-UHFFFAOYSA-M" RELATED InChIKey [ChEBI:] xref: ChemIDplus:4310-35-4 "CAS Registry Number" xref: Beilstein:4067320 "Beilstein Registry Number" xref: DrugBank:DB00505 "DrugBank" xref: KEGG DRUG:D00723 "KEGG DRUG" is_a: CHEBI:36094 relationship: has_part CHEBI:9701 [Term] id: CHEBI:52672 name: rhodamine 6G alt_id: CHEBI:8829 alt_id: CHEBI:49841 def: "A rhodamine 6G(1+) that has formula C28H31ClN2O3." [] synonym: "Rhodamine 6G" EXACT [KEGG COMPOUND:] synonym: "9-[2-(ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethylxanthenium chloride" EXACT IUPAC_NAME [IUPAC:] synonym: "Basic Red 1" RELATED [ChEBI:] synonym: "9-(2-(ethoxycarbonyl)phenyl)-3,6-bis(ethylamino)-2,7-dimethylxanthylium chloride" RELATED [ChemIDplus:] synonym: "2-(6-(ethylamino)-3-(ethylimino)-2,7-dimethyl-3H-xanthen-9-yl)benzoic acid, ethyl ester, monohydrochloride" RELATED [ChemIDplus:] synonym: "R6G" RELATED [ChEBI:] synonym: "C28H31ClN2O3" RELATED FORMULA [ChEBI:] synonym: "C28H31N2O3.Cl" RELATED FORMULA [KEGG COMPOUND:] synonym: "[Cl-].CCNc1cc2[o+]c3cc(NCC)c(C)cc3c(-c3ccccc3C(=O)OCC)c2cc1C" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C28H31N2O3.ClH/c1-6-29-23-15-25-21(13-17(23)4)27(19-11-9-10-12-20(19)28(31)32-8-3)22-14-18(5)24(30-7-2)16-26(22)33-25;/h9-16,29-30H,6-8H2,1-5H3;1H/q+1;/p-1" RELATED InChI [ChEBI:] synonym: "InChIKey=XFKVYXCRNATCOO-UHFFFAOYSA-M" RELATED InChIKey [ChEBI:] xref: DrugBank:DB03825 "DrugBank" xref: KEGG COMPOUND:C11177 "KEGG COMPOUND" xref: ChemIDplus:989-38-8 "CAS Registry Number" xref: Beilstein:3900071 "Beilstein Registry Number" is_a: CHEBI:52895 is_a: CHEBI:36094 is_a: CHEBI:37929 relationship: has_role CHEBI:51217 [Term] id: CHEBI:52652 name: 6-carboxyrhodamine 6G def: "A rhodamine 6G compound having a carboxy substituent in the 6-position." [] synonym: "9-[5-carboxy-2-(ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethylxanthenium chloride" EXACT IUPAC_NAME [IUPAC:] synonym: "6-CR 6G" RELATED [ChEBI:] synonym: "C29H31ClN2O5" RELATED FORMULA [ChEBI:] synonym: "[Cl-].CCNc1cc2[o+]c3cc(NCC)c(C)cc3c(-c3cc(ccc3C(=O)OCC)C(O)=O)c2cc1C" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C29H30N2O5.ClH/c1-6-30-23-14-25-21(11-16(23)4)27(22-12-17(5)24(31-7-2)15-26(22)36-25)20-13-18(28(32)33)9-10-19(20)29(34)35-8-3;/h9-15,30-31H,6-8H2,1-5H3;1H" RELATED InChI [ChEBI:] synonym: "InChIKey=VWOLRKMFAJUZGM-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] is_a: CHEBI:36094 relationship: has_role CHEBI:51217 is_a: CHEBI:37929 relationship: has_functional_parent CHEBI:52672 [Term] id: CHEBI:52131 name: mitoTracker Deep Red 633 def: "A Cy5 dye that has formula C34H36Cl2N2." [] synonym: "1-{4-[(chloromethyl)phenyl]methyl}-3,3-dimethyl-2-[5-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)penta-1,3-dien-1-yl]-3H-indolium chloride" EXACT IUPAC_NAME [IUPAC:] synonym: "2-[5-(1-{[4-(chloromethyl)phenyl]methyl}-3,3-dimethyl-1,3-dihydro-2H-indol-2-ylidene)penta-1,3-dien-1-yl]-1,3,3-trimethyl-3H-indolium chloride" EXACT IUPAC_NAME [IUPAC:] synonym: "C34H36Cl2N2" RELATED FORMULA [ChEBI:] synonym: "[Cl-].[H]C(C=C([H])C1=[N+](C)c2ccccc2C1(C)C)=CC([H])=C1N(Cc2ccc(CCl)cc2)c2ccccc2C1(C)C" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C34H36ClN2.ClH/c1-33(2)27-13-9-11-15-29(27)36(5)31(33)17-7-6-8-18-32-34(3,4)28-14-10-12-16-30(28)37(32)24-26-21-19-25(23-35)20-22-26;/h6-22H,23-24H2,1-5H3;1H/q+1;/p-1" RELATED InChI [ChEBI:] synonym: "InChIKey=IRSFLEQGOMAAPU-UHFFFAOYSA-M" RELATED InChIKey [ChEBI:] is_a: CHEBI:37989 relationship: has_role CHEBI:51217 is_a: CHEBI:36094 [Term] id: CHEBI:52133 name: mitoTracker Green FM def: "An organic chloride salt that has formula C32H24Cl5N3O." [] synonym: "5,6-dichloro-1,3-bis[4-(chloromethyl)phenyl]-2-[3-(3-methyl-1,3-benzoxazol-2(3H)-ylidene)prop-1-en-1-yl]-1H-benzimidazol-3-ium chloride" EXACT IUPAC_NAME [IUPAC:] synonym: "2-[3-{5,6-dichloro-1,3-bis[4-(chloromethyl)phenyl]-1,3-dihydro-2H-benzimidazol-2-ylidene}prop-1-en-1-yl]-3-methyl-1,3-benzoxazol-3-ium chloride" EXACT IUPAC_NAME [IUPAC:] synonym: "C32H24Cl5N3O" RELATED FORMULA [ChEBI:] synonym: "[Cl-].[H]C(=Cc1n(-c2ccc(CCl)cc2)c2cc(Cl)c(Cl)cc2[n+]1-c1ccc(CCl)cc1)C([H])=C1Oc2ccccc2N1C" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C32H24Cl4N3O.ClH/c1-37-27-5-2-3-6-30(27)40-32(37)8-4-7-31-38(23-13-9-21(19-33)10-14-23)28-17-25(35)26(36)18-29(28)39(31)24-15-11-22(20-34)12-16-24;/h2-18H,19-20H2,1H3;1H/q+1;/p-1" RELATED InChI [ChEBI:] synonym: "InChIKey=IFTVAQUNDKGWDD-UHFFFAOYSA-M" RELATED InChIKey [ChEBI:] is_a: CHEBI:37960 relationship: has_role CHEBI:51217 is_a: CHEBI:36094 [Term] id: CHEBI:51988 name: tetrabutylammonium chloride def: "A tetrabutylammonium salt that has formula C16H36ClN." [] synonym: "tetra-N-butylammonium chloride" RELATED [NIST Chemistry WebBook:] synonym: "N,N,N-tributyl-1-butanaminium chloride" RELATED [NIST Chemistry WebBook:] synonym: "N,N,N-tributylbutan-1-aminium chloride" EXACT IUPAC_NAME [IUPAC:] synonym: "C16H36ClN" RELATED FORMULA [NIST Chemistry WebBook:] synonym: "[Cl-].CCCC[N+](CCCC)(CCCC)CCCC" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C16H36N.ClH/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;/h5-16H2,1-4H3;1H/q+1;/p-1" RELATED InChI [ChEBI:] synonym: "InChIKey=NHGXDBSUJJNIRV-UHFFFAOYSA-M" RELATED InChIKey [ChEBI:] xref: NIST Chemistry WebBook:1112-67-0 "CAS Registry Number" xref: ChemIDplus:1112-67-0 "CAS Registry Number" xref: Beilstein:3571227 "Beilstein Registry Number" xref: Gmelin:10839 "Gmelin Registry Number" is_a: CHEBI:51992 is_a: CHEBI:36094 [Term] id: CHEBI:52155 name: mitoTracker Orange def: "An organic chloride salt that has formula C24H24Cl2N2O." [] synonym: "9-[4-(chloromethyl)phenyl]-3,6-bis(dimethylamino)-Xanthylium chloride" RELATED [ChEBI:] synonym: "Chloromethyltetramethylrosamine" RELATED [ChEBI:] synonym: "N-{9-[4-(chloromethyl)phenyl]-6-(dimethylamino)-3H-xanthen-3-ylidene}-N-methylmethanaminium chloride" EXACT IUPAC_NAME [IUPAC:] synonym: "CMTMRos" RELATED [ChEBI:] synonym: "C24H24Cl2N2O" RELATED FORMULA [ChEBI:] synonym: "[Cl-].CN(C)c1ccc2c(-c3ccc(CCl)cc3)c3ccc(cc3oc2c1)=[N+](C)C" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C24H24ClN2O.ClH/c1-26(2)18-9-11-20-22(13-18)28-23-14-19(27(3)4)10-12-21(23)24(20)17-7-5-16(15-25)6-8-17;/h5-14H,15H2,1-4H3;1H/q+1;/p-1" RELATED InChI [ChEBI:] synonym: "InChIKey=FZTMEYOUQQFBJR-UHFFFAOYSA-M" RELATED InChIKey [ChEBI:] is_a: CHEBI:36094 relationship: has_role CHEBI:51217 relationship: has_part CHEBI:9494 [Term] id: CHEBI:52156 name: mitoTracker Red def: "An organic heteroheptacyclic compound that has formula C32H32Cl2N2O." [] synonym: "CMXRos" RELATED [ChEBI:] synonym: "chloromethyl-X-rosamine" RELATED [ChEBI:] synonym: "MTRed" RELATED [ChEBI:] synonym: "9-[4-(chloromethyl)phenyl]-2,3,6,7,12,13,16,17-octahydro-1H,5H,11H,15H-pyrido[3,2,1-ij]quinolizino[1',9':6,7,8]chromeno[2,3-f]quinolin-4-ium chloride" EXACT IUPAC_NAME [IUPAC:] synonym: "C32H32Cl2N2O" RELATED FORMULA [ChEBI:] synonym: "[Cl-].ClCc1ccc(cc1)C1=c2cc3CCC[N+]4=c3c(CCC4)c2Oc2c3CCCN4CCCc(cc12)c34" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C32H32ClN2O.ClH/c33-19-20-9-11-21(12-10-20)28-26-17-22-5-1-13-34-15-3-7-24(29(22)34)31(26)36-32-25-8-4-16-35-14-2-6-23(30(25)35)18-27(28)32;/h9-12,17-18H,1-8,13-16,19H2;1H/q+1;/p-1" RELATED InChI [ChEBI:] synonym: "InChIKey=IKEOZQLIVHGQLJ-UHFFFAOYSA-M" RELATED InChIKey [ChEBI:] is_a: CHEBI:36094 relationship: has_role CHEBI:51217 is_a: CHEBI:52157 [Term] id: CHEBI:52163 name: nile blue dye def: "An organic chloride salt that has formula C20H20ClN3O." [] synonym: "Cresyl Fast Violet" RELATED [ChemIDplus:] synonym: "Nile Blue chloride" RELATED [ChemIDplus:] synonym: "Benzo(a)phenazoxonium, 5-amino-9-(diethylamino)-,chloride" RELATED [ChemIDplus:] synonym: "Cresol Fast Violet" RELATED [ChemIDplus:] synonym: "5-amino-9-(diethylamino)benzo[a]phenoxazin-7-ium chloride" EXACT IUPAC_NAME [IUPAC:] synonym: "C20H20ClN3O" RELATED FORMULA [ChEBI:] synonym: "[Cl-].CCN(CC)c1ccc2nc3c(cc(N)c4ccccc34)[o+]c2c1" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C20H20N3O.ClH/c1-3-23(4-2)13-9-10-17-18(11-13)24-19-12-16(21)14-7-5-6-8-15(14)20(19)22-17;/h5-12H,3-4,21H2,1-2H3;1H/q+1;/p-1" RELATED InChI [ChEBI:] synonym: "InChIKey=XJCPMUIIBDVFDM-UHFFFAOYSA-M" RELATED InChIKey [ChEBI:] xref: ChemIDplus:2381-85-3 "CAS Registry Number" xref: Beilstein:3923952 "Beilstein Registry Number" is_a: CHEBI:36094 relationship: has_role CHEBI:51217 relationship: has_part CHEBI:52168 [Term] id: CHEBI:52252 name: QSY21 succinimidyl ester def: "An organic chloride salt that has formula C45H39ClN4O7S." [] synonym: "QSY 21" RELATED [ChEBI:] synonym: "2-[6-(1,3-dihydro-2H-isoindol-2-yl)-9-{2-[(4-{[(2,5-dioxopyrrolidin-1-yl)oxy]carbonyl}piperidin-1-yl)sulfonyl]phenyl}-3H-xanthen-3-ylidene]-2,3-dihydro-1H-isoindolium chloride" EXACT IUPAC_NAME [IUPAC:] synonym: "C45H39ClN4O7S" RELATED FORMULA [ChEBI:] synonym: "[Cl-].O=C1CCC(=O)N1OC(=O)C1CCN(CC1)S(=O)(=O)c1ccccc1C1=c2ccc(cc2Oc2cc(ccc12)N1Cc2ccccc2C1)=[N+]1Cc2ccccc2C1" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C45H39N4O7S.ClH/c50-42-17-18-43(51)49(42)56-45(52)29-19-21-48(22-20-29)57(53,54)41-12-6-5-11-38(41)44-36-15-13-34(46-25-30-7-1-2-8-31(30)26-46)23-39(36)55-40-24-35(14-16-37(40)44)47-27-32-9-3-4-10-33(32)28-47;/h1-16,23-24,29H,17-22,25-28H2;1H/q+1;/p-1" RELATED InChI [ChEBI:] synonym: "InChIKey=MTVVRWVOXZSVBW-UHFFFAOYSA-M" RELATED InChIKey [ChEBI:] is_a: CHEBI:36094 relationship: has_role CHEBI:51217 is_a: CHEBI:37929 relationship: has_part CHEBI:52889 [Term] id: CHEBI:52256 name: QSY7 succinimidyl ester def: "An organic chloride salt that has formula C43H39ClN4O7S." [] synonym: "QSY 7" RELATED [ChEBI:] synonym: "N-(9-{2-[(4-{[(2,5-dioxopyrrolidin-1-yl)oxy]carbonyl}piperidin-1-yl)sulfonyl]phenyl}-6-[methyl(phenyl)amino]-3H-xanthen-3-ylidene)-N-methylanilinium chloride" EXACT IUPAC_NAME [IUPAC:] synonym: "C43H39ClN4O7S" RELATED FORMULA [ChEBI:] synonym: "[Cl-].CN(c1ccccc1)c1ccc2c(-c3ccccc3S(=O)(=O)N3CCC(CC3)C(=O)ON3C(=O)CCC3=O)c3ccc(cc3oc2c1)=[N+](C)c1ccccc1" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C43H39N4O7S.ClH/c1-44(30-11-5-3-6-12-30)32-17-19-34-37(27-32)53-38-28-33(45(2)31-13-7-4-8-14-31)18-20-35(38)42(34)36-15-9-10-16-39(36)55(51,52)46-25-23-29(24-26-46)43(50)54-47-40(48)21-22-41(47)49;/h3-20,27-29H,21-26H2,1-2H3;1H/q+1;/p-1" RELATED InChI [ChEBI:] synonym: "InChIKey=BDJDTKYGKHEMFF-UHFFFAOYSA-M" RELATED InChIKey [ChEBI:] xref: Beilstein:11392862 "Beilstein Registry Number" is_a: CHEBI:36094 relationship: has_role CHEBI:51217 relationship: has_part CHEBI:52890 is_a: CHEBI:37929 [Term] id: CHEBI:52259 name: QSY9 succinimidyl ester def: "An organic chloride salt that has formula C43H39ClN4O13S3." [] synonym: "QSY 9" RELATED [ChEBI:] synonym: "N-(9-{2-[(4-{[(2,5-dioxopyrrolidin-1-yl)oxy]carbonyl}piperidin-1-yl)sulfonyl]phenyl}-6-[methyl(4-sulfophenyl)amino]-3H-xanthen-3-ylidene)-N-methyl-4-sulfoanilinium chloride" EXACT IUPAC_NAME [IUPAC:] synonym: "C43H39ClN4O13S3" RELATED FORMULA [ChEBI:] synonym: "[H+].[H+].[Cl-].CN(c1ccc(cc1)S([O-])(=O)=O)c1ccc2c(-c3ccccc3S(=O)(=O)N3CCC(CC3)C(=O)ON3C(=O)CCC3=O)c3ccc(cc3oc2c1)=[N+](C)c1ccc(cc1)S([O-])(=O)=O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C43H38N4O13S3.ClH/c1-44(28-7-13-32(14-8-28)62(53,54)55)30-11-17-34-37(25-30)59-38-26-31(45(2)29-9-15-33(16-10-29)63(56,57)58)12-18-35(38)42(34)36-5-3-4-6-39(36)61(51,52)46-23-21-27(22-24-46)43(50)60-47-40(48)19-20-41(47)49;/h3-18,25-27H,19-24H2,1-2H3,(H-,53,54,55,56,57,58);1H" RELATED InChI [ChEBI:] synonym: "InChIKey=PAOKYIAFAJVBKU-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] is_a: CHEBI:36094 relationship: has_role CHEBI:51217 relationship: has_part CHEBI:52891 is_a: CHEBI:37929 [Term] id: CHEBI:52281 name: tetramethylrhodamine chloride def: "An organic chloride salt that has formula C24H23ClN2O3." [] synonym: "9-(2-carboxyphenyl)-3,6-bis(dimethylamino)xanthenium chloride" EXACT IUPAC_NAME [IUPAC:] synonym: "Xanthylium, 9-(2-carboxyphenyl)-3,6-bis(dimethylamino)-,chloride" RELATED [ChemIDplus:] synonym: "C24H23ClN2O3" RELATED FORMULA [ChEBI:] synonym: "[Cl-].CN(C)c1ccc2c(-c3ccccc3C(O)=O)c3ccc(cc3[o+]c2c1)N(C)C" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C24H22N2O3.ClH/c1-25(2)15-9-11-19-21(13-15)29-22-14-16(26(3)4)10-12-20(22)23(19)17-7-5-6-8-18(17)24(27)28;/h5-14H,1-4H3;1H" RELATED InChI [ChEBI:] synonym: "InChIKey=WGTODYJZXSJIAG-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: ChemIDplus:70281-37-7 "CAS Registry Number" is_a: CHEBI:36094 relationship: has_role CHEBI:51217 relationship: has_part CHEBI:52282 [Term] id: CHEBI:52295 name: thionine def: "An organic chloride salt that has formula C12H10ClN3S." [] synonym: "Cyanine" RELATED [ChemIDplus:] synonym: "Thionin" RELATED [ChemIDplus:] synonym: "Katalysin" RELATED [ChemIDplus:] synonym: "Lauthsches violett" RELATED [ChemIDplus:] synonym: "Lauth's Violet" RELATED [ChemIDplus:] synonym: "C12H10ClN3S" RELATED FORMULA [ChEBI:] synonym: "[Cl-].Nc1ccc2nc3ccc(N)cc3[s+]c2c1" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C12H10N3S.ClH/c13-7-1-3-9-11(5-7)16-12-6-8(14)2-4-10(12)15-9;/h1-6H,13-14H2;1H/q+1;/p-1" RELATED InChI [ChEBI:] synonym: "InChIKey=ANRHNWWPFJCPAZ-UHFFFAOYSA-M" RELATED InChIKey [ChEBI:] xref: Beilstein:3921370 "Beilstein Registry Number" xref: ChemIDplus:581-64-6 "CAS Registry Number" is_a: CHEBI:36094 relationship: has_role CHEBI:37958 relationship: has_part CHEBI:52926 [Term] id: CHEBI:52315 name: rhodamine 110 def: "An organic chloride salt that has formula C20H15ClN2O3." [] synonym: "3,6-diamino-9-(2-carboxyphenyl)xanthenium chloride" EXACT IUPAC_NAME [IUPAC:] synonym: "Rh110" RELATED [ChEBI:] synonym: "C20H15ClN2O3" RELATED FORMULA [ChEBI:] synonym: "[Cl-].Nc1ccc2c(-c3ccccc3C(O)=O)c3ccc(N)cc3[o+]c2c1" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C20H14N2O3.ClH/c21-11-5-7-15-17(9-11)25-18-10-12(22)6-8-16(18)19(15)13-3-1-2-4-14(13)20(23)24;/h1-10H,21-22H2;1H" RELATED InChI [ChEBI:] synonym: "InChIKey=MYIOYATURDILJN-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: ChemIDplus:13558-31-1 "CAS Registry Number" xref: Beilstein:4631860 "Beilstein Registry Number" is_a: CHEBI:36094 is_a: CHEBI:37929 relationship: has_role CHEBI:51217 relationship: has_part CHEBI:52893 [Term] id: CHEBI:52336 name: tetramethylrhodamine thiocyanate def: "An organic chloride salt that has formula C25H22ClN3O3S." [] synonym: "Rhodamine tetramethylisothiocyanate" RELATED [ChemIDplus:] synonym: "TRITC" RELATED [ChemIDplus:] synonym: "9-(2-carboxy-4-thiocyanatophenyl)-3,6-bis(dimethylamino)xanthenium chloride" EXACT IUPAC_NAME [IUPAC:] synonym: "C25H22ClN3O3S" RELATED FORMULA [ChEBI:] synonym: "[Cl-].CN(C)c1ccc2c(-c3ccc(SC#N)cc3C(O)=O)c3ccc(cc3[o+]c2c1)N(C)C" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C25H21N3O3S.ClH/c1-27(2)15-5-8-19-22(11-15)31-23-12-16(28(3)4)6-9-20(23)24(19)18-10-7-17(32-14-26)13-21(18)25(29)30;/h5-13H,1-4H3;1H" RELATED InChI [ChEBI:] synonym: "InChIKey=JGVWCANSWKRBCS-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: ChemIDplus:4158-89-8 "CAS Registry Number" is_a: CHEBI:36094 relationship: has_functional_parent CHEBI:52315 relationship: has_role CHEBI:51217 relationship: has_part CHEBI:52933 [Term] id: CHEBI:8828 name: rhodamine 123 def: "An organic chloride salt that has formula C21H17ClN2O3." [] synonym: "6-amino-9-[2-(methoxycarbonyl)phenyl]-3H-xanthen-3-iminium chloride" EXACT IUPAC_NAME [IUPAC:] synonym: "Rhodamine 123" EXACT [KEGG COMPOUND:] synonym: "rhodamine 110 methyl ester" RELATED [ChEBI:] synonym: "RH 123" RELATED [ChemIDplus:] synonym: "C21H17ClN2O3" RELATED FORMULA [ChEBI:] synonym: "[Cl-].COC(=O)c1ccccc1-c1c2ccc(N)cc2oc2cc(=[NH2+])ccc12" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C21H16N2O3.ClH/c1-25-21(24)15-5-3-2-4-14(15)20-16-8-6-12(22)10-18(16)26-19-11-13(23)7-9-17(19)20;/h2-11,22H,23H2,1H3;1H" RELATED InChI [ChEBI:] synonym: "InChIKey=MYFATKRONKHHQL-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: Beilstein:6030951 "Beilstein Registry Number" xref: ChemIDplus:62669-70-9 "CAS Registry Number" xref: KEGG COMPOUND:C11190 "KEGG COMPOUND" is_a: CHEBI:36094 relationship: has_role CHEBI:51217 is_a: CHEBI:37929 relationship: has_part CHEBI:52894 [Term] id: CHEBI:52334 name: rhodamine B def: "An organic chloride salt that has formula C28H31ClN2O3." [] synonym: "Brilliant Pink B" RELATED [ChemIDplus:] synonym: "Acid Brilliant Pink B" RELATED [ChemIDplus:] synonym: "Basonyl Red 545" RELATED [ChemIDplus:] synonym: "Calcozine Red BX" RELATED [ChemIDplus:] synonym: "Basic Rose Extract" RELATED [ChemIDplus:] synonym: "Basic Rose Red" RELATED [ChemIDplus:] synonym: "Basic Violet 10" RELATED [ChemIDplus:] synonym: "Tetraethylrhodamine" RELATED [ChemIDplus:] synonym: "Symulex Magenta F" RELATED [ChemIDplus:] synonym: "N-[9-(2-carboxyphenyl)-6-(diethylamino)-3H-xanthen-3-ylidene]-N-ethylethanaminium chloride" EXACT IUPAC_NAME [IUPAC:] synonym: "Violet zasadita 10" RELATED [ChemIDplus:] synonym: "Rheonine B" RELATED [ChemIDplus:] synonym: "Edicol Suppa Rose BS" RELATED [ChemIDplus:] synonym: "C28H31ClN2O3" RELATED FORMULA [ChEBI:] synonym: "[Cl-].CCN(CC)c1ccc2c(-c3ccccc3C(O)=O)c3ccc(cc3oc2c1)=[N+](CC)CC" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C28H30N2O3.ClH/c1-5-29(6-2)19-13-15-23-25(17-19)33-26-18-20(30(7-3)8-4)14-16-24(26)27(23)21-11-9-10-12-22(21)28(31)32;/h9-18H,5-8H2,1-4H3;1H" RELATED InChI [ChEBI:] synonym: "InChIKey=PYWVYCXTNDRMGF-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: ChemIDplus:81-88-9 "CAS Registry Number" is_a: CHEBI:36094 relationship: has_role CHEBI:51217 is_a: CHEBI:37929 relationship: has_part CHEBI:52896 [Term] id: CHEBI:52358 name: tris(2,2'-bipyridine)ruthenium(II) dichloride def: "A ruthenium coordination entity consisting of ruthenium(II) chloride bound to three 2,2'-bipyridine units." [] synonym: "Tris(2,2'-bipyridine)ruthenium(II) dichloride" EXACT [ChEBI:] synonym: "tris(2,2'-bipyridine-kappa(2)N(1),N(1'))ruthenium(II) dichloride" EXACT IUPAC_NAME [IUPAC:] synonym: "C30H24Cl2N6Ru" RELATED FORMULA [ChEBI:] synonym: "[Cl-].[Cl-].C1=CC=[N]2C(=C1)C1=CC=CC=[N]1[Ru++]2123[N]4=CC=CC=C4C4=CC=CC=[N]14.C1=CC=[N]2C(=C1)C1=CC=CC=[N]31" RELATED SMILES [ChEBI:] synonym: "InChI=1S/3C10H8N2.2ClH.Ru/c3*1-3-7-11-9(5-1)10-6-2-4-8-12-10;;;/h3*1-8H;2*1H;/q;;;;;+2/p-2" RELATED InChI [ChEBI:] synonym: "InChIKey=SJFYGUKHUNLZTK-UHFFFAOYSA-L" RELATED InChIKey [ChEBI:] xref: ChemIDplus:14323-06-9 "CAS Registry Number" is_a: CHEBI:36094 is_a: CHEBI:35733 relationship: has_role CHEBI:51217 relationship: has_part CHEBI:30351 relationship: has_part CHEBI:52931 [Term] id: CHEBI:52359 name: tris(4,4'-diphenyl-2,2'-bipyridine)ruthenium(II) chloride def: "A ruthenium coordination entity consisting of ruthenium(II) chloride bound to three 4,4'-diphenyl-2,2'-bipyridine units." [] synonym: "tris(4,4'-diphenyl-2,2'-bipyridine-kappa(2)N(1),N(1'))ruthenium(II) dichloride" EXACT IUPAC_NAME [IUPAC:] synonym: "C66H48Cl2N6Ru" RELATED FORMULA [ChEBI:] synonym: "[Cl-].[Cl-].c1ccc(cc1)C1=CC=[N]2C(=C1)C1=CC(=CC=[N]1[Ru++]2123[N]4=CC=C(C=C4C4=CC(=CC=[N]14)c1ccccc1)c1ccccc1)c1ccccc1.c1ccc(cc1)C1=CC=[N]2C(=C1)C1=CC(=CC=[N]31)c1ccccc1" RELATED SMILES [ChEBI:] synonym: "InChI=1S/3C22H16N2.2ClH.Ru/c3*1-3-7-17(8-4-1)19-11-13-23-21(15-19)22-16-20(12-14-24-22)18-9-5-2-6-10-18;;;/h3*1-16H;2*1H;/q;;;;;+2/p-2" RELATED InChI [ChEBI:] synonym: "InChIKey=KFUWJKDRIQIISF-UHFFFAOYSA-L" RELATED InChIKey [ChEBI:] is_a: CHEBI:35733 is_a: CHEBI:36094 relationship: has_role CHEBI:51217 relationship: has_part CHEBI:52932 [Term] id: CHEBI:52723 name: tris(1,10-phenanthroline)ruthenium(II) dichloride dihydrate def: "The dihydrate of a tris(1,10-phenanthroline)ruthenium(2+) dichloride salt." [] synonym: "tris(1,10-phenanthroline-kappa(2)N(1),N(10))ruthenium(2+) dichloride dihydrate" EXACT IUPAC_NAME [IUPAC:] synonym: "C36H28Cl2N6O2Ru" RELATED FORMULA [ChEBI:] synonym: "O.O.[Cl-].[Cl-].C1=Cc2ccc3C=CC=[N]4c3c2[N](=C1)[Ru++]4123[N]4=CC=Cc5ccc6C=CC=[N]1c6c45.C1=Cc4ccc5C=CC=[N]2c5c4[N]3=C1" RELATED SMILES [ChEBI:] synonym: "InChI=1S/3C12H8N2.2ClH.2H2O.Ru/c3*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;;;;;/h3*1-8H;2*1H;2*1H2;/q;;;;;;;+2/p-2" RELATED InChI [ChEBI:] synonym: "InChIKey=WRAOQAUYBAGBEE-UHFFFAOYSA-L" RELATED InChIKey [ChEBI:] relationship: has_part CHEBI:36409 relationship: has_role CHEBI:51217 is_a: CHEBI:36094 is_a: CHEBI:35505 [Term] id: CHEBI:53355 name: poly(diallyldimethylammonium chloride) macromolecule def: "A macromolecule composed of repeating N,N-dimethyl-N-propylpropan-1-aminium chloride units." [] synonym: "PDADMA" RELATED [SUBMITTER:] synonym: "2-Propen-1-aminium, N,N-dimethyl-N-2-propenyl-, homopolymer" RELATED [ChemIDplus:] synonym: "poly(N-allyl-N,N-dimethylprop-2-en-1-aminium chloride)" EXACT IUPAC_NAME [IUPAC:] synonym: "PDADMAC" RELATED [SUBMITTER:] synonym: "polydiallyldimethylammonium chloride" RELATED [SUBMITTER:] synonym: "PDDA" RELATED [SUBMITTER:] synonym: "PDAC" RELATED [SUBMITTER:] synonym: "poly(diallyldimethylammonium chloride)" RELATED [ChEBI:] synonym: "Polydiallydimethylammonium chloride" RELATED [ChemIDplus:] synonym: "(C8H18ClN)n" RELATED FORMULA [ChEBI:] xref: Beilstein:8828429 "Beilstein Registry Number" xref: ChemIDplus:28301-34-0 "CAS Registry Number" xref: Beilstein:10788913 "Beilstein Registry Number" is_a: CHEBI:37997 is_a: CHEBI:35273 is_a: CHEBI:36094 [Term] id: CHEBI:60595 name: poly(diallyldimethylammonium chloride) polymer def: "A homopolymer, composed of poly(diallyldimethylammonium chloride) macromolecules." [] synonym: "polydiallyldimethylammonium chloride" RELATED [ChEBI:] synonym: "poly(diallyldimethylammonium chloride)" RELATED [ChEBI:] synonym: "PDAC" RELATED [ChEBI:] synonym: "PDADMA" RELATED [ChEBI:] synonym: "PDADMAC" RELATED [ChEBI:] synonym: "2-Propen-1-aminium, N,N-dimethyl-N-2-propenyl-, homopolymer" RELATED [ChEBI:] synonym: "PDDA" RELATED [ChEBI:] synonym: "Polydiallydimethylammonium chloride" RELATED [ChEBI:] is_a: CHEBI:60029 relationship: has_part CHEBI:53355 [Term] id: CHEBI:53581 name: cetyltrimethylammonium chloride def: "The chloride salt of cetyltrimethylammonium" [] synonym: "Arquad 16-50" RELATED [ChemIDplus:] synonym: "Trimethylcetylammonium chloride" RELATED [ChemIDplus:] synonym: "Cetyl trimethyl ammonium chloride" RELATED [ChemIDplus:] synonym: "cetyl(trimethyl)ammonium chloride" RELATED [ChEBI:] synonym: "Trimethylhexadecylammonium chloride" RELATED [ChemIDplus:] synonym: "N,N,N-Trimethyl-1-hexadecanaminium chloride" RELATED [ChemIDplus:] synonym: "N,N,N-trimethylhexadecan-1-aminium chloride" EXACT IUPAC_NAME [IUPAC:] synonym: "Cetrimonium chloride" RELATED [ChemIDplus:] synonym: "hexadecyl(trimethyl)ammonium chloride" RELATED [ChEBI:] synonym: "Palmityltrimethylammonium chloride" RELATED [ChemIDplus:] synonym: "C19H42ClN" RELATED FORMULA [ChEBI:] synonym: "[Cl-].CCCCCCCCCCCCCCCC[N+](C)(C)C" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C19H42N.ClH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)4;/h5-19H2,1-4H3;1H/q+1;/p-1" RELATED InChI [ChEBI:] synonym: "InChIKey=WOWHHFRSBJGXCM-UHFFFAOYSA-M" RELATED InChIKey [ChEBI:] xref: ChemIDplus:112-02-7 "CAS Registry Number" xref: Beilstein:3657974 "Beilstein Registry Number" xref: CiteXplore:7526642 "PubMed citation" is_a: CHEBI:35273 is_a: CHEBI:36094 relationship: has_part CHEBI:39561 [Term] id: CHEBI:3020 name: benzalkonium chloride def: "A class of quaternary ammonium chloride salts in which the nitrogen is substituted by a benzyl group, two methyl groups and an even-numbered alkyl chain." [] synonym: "cloruro de benzalconio" RELATED INN [ChemIDplus:] synonym: "benzalkonium chlorides" RELATED [ChEBI:] synonym: "Alkyl dimethylbenzyl ammonium chloride" RELATED [ChemIDplus:] synonym: "benzalkonii chloridum" RELATED INN [ChemIDplus:] synonym: "chlorure de benzalkonium" RELATED INN [ChemIDplus:] synonym: "Alkyldimethylbenzylammonium chloride" RELATED [ChemIDplus:] synonym: "Alkylbenzyldimethylammonium chloride" RELATED [ChemIDplus:] synonym: "Benzalkonium chloride" EXACT [KEGG COMPOUND:] synonym: "ADBAC" RELATED [ChEBI:] synonym: "Alkyldimethyl(phenylmethyl)quaternary ammonium chlorides" RELATED [ChemIDplus:] synonym: "benzalkonium chloride" RELATED INN [KEGG DRUG:] synonym: "C9H13ClNR" RELATED FORMULA [ChEBI:] synonym: "[Cl-].C[N+](C)([*])Cc1ccccc1" RELATED SMILES [ChEBI:] xref: CiteXplore:7526642 "PubMed citation" xref: KEGG DRUG:D00857 "KEGG DRUG" xref: KEGG COMPOUND:C08037 "KEGG COMPOUND" xref: ChemIDplus:8001-54-5 "CAS Registry Number" is_a: CHEBI:35273 relationship: has_role CHEBI:33282 relationship: has_role CHEBI:48219 relationship: has_role CHEBI:35195 is_a: CHEBI:36094 [Term] id: CHEBI:2628 name: ambenonium chloride def: "A symmetrical oxalamide-based bis-quaternary ammonium salt having ethyl and 2-chlorobenzyl groups attached to the nitrogens." [] synonym: "ambenonium chloride" RELATED INN [KEGG DRUG:] synonym: "ambenonii chloridum" RELATED INN [ChemIDplus:] synonym: "Ambenonium dichloride" RELATED [ChemIDplus:] synonym: "(Oxalylbis(iminoethylene))bis((o-chlorobenzyl)diethylammonium) dichloride" RELATED [ChemIDplus:] synonym: "N,N'-Bis(2-diethylaminoethyl)oxamide bis(2-chlorobenzyl chloride)" RELATED [ChemIDplus:] synonym: "Chlorure d'ambenonium" RELATED INN [ChemIDplus:] synonym: "Cloruro de ambenonio" RELATED INN [ChemIDplus:] synonym: "Ambestigmin chloride" RELATED [ChemIDplus:] synonym: "2,2'-[(1,2-dioxoethane-1,2-diyl)diimino]bis[N-(2-chlorobenzyl)-N,N-diethylethanaminium] dichloride" EXACT IUPAC_NAME [IUPAC:] synonym: "C28H42Cl4N4O2" RELATED FORMULA [ChEBI:] synonym: "C28H42Cl2N4O2.2Cl" RELATED FORMULA [KEGG DRUG:] synonym: "[Cl-].[Cl-].CC[N+](CC)(CCNC(=O)C(=O)NCC[N+](CC)(CC)Cc1ccccc1Cl)Cc1ccccc1Cl" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C28H40Cl2N4O2.2ClH/c1-5-33(6-2,21-23-13-9-11-15-25(23)29)19-17-31-27(35)28(36)32-18-20-34(7-3,8-4)22-24-14-10-12-16-26(24)30;;/h9-16H,5-8,17-22H2,1-4H3;2*1H" RELATED InChI [ChEBI:] synonym: "InChIKey=DXUUXWKFVDVHIK-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: KEGG DRUG:D01001 "KEGG DRUG" xref: Patent:DE1024517 "Patent" xref: ChemIDplus:115-79-7 "CAS Registry Number" xref: DrugBank:DB01122 "DrugBank" xref: Beilstein:7563564 "Beilstein Registry Number" is_a: CHEBI:35273 is_a: CHEBI:36094 relationship: has_role CHEBI:37733 relationship: has_role CHEBI:35942 [Term] id: CHEBI:383703 name: 3,6-diamino-10-methylacridinium chloride def: "The 10-methochloride salt of 3,6-diaminoacridine. Note that a mixture of this compound with 3,6-diaminoacridine (proflavine) is known as acriflavine or neutral acriflavine." [] synonym: "3,6-diamino-10-methylacridinium chloride" EXACT IUPAC_NAME [IUPAC:] synonym: "C14H14ClN3" RELATED FORMULA [ChEBI:] synonym: "[Cl-].C[n+]1c2cc(N)ccc2cc2ccc(N)cc12" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C14H13N3.ClH/c1-17-13-7-11(15)4-2-9(13)6-10-3-5-12(16)8-14(10)17;/h2-8H,1H3,(H3,15,16);1H" RELATED InChI [ChEBI:] synonym: "InChIKey=KKAJSJJFBSOMGS-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: ChemIDplus:86-40-8 "CAS Registry Number" xref: Reaxys:3579028 "Reaxys Registry Number" xref: ChEMBL:6737429 "PubMed citation" is_a: CHEBI:36094 relationship: has_part CHEBI:60585 [Term] id: CHEBI:60604 name: rhodamine B isothiocyanate def: "A xanthene dye with excitation wavelength of 544 nm and emission wavelength of 576 nm. Exists as an inseparable mixture of 5- and 6-isocyanate isomers." [] synonym: "Rhodamine isothiocyanate" RELATED [ChemIDplus:] synonym: "RITC" RELATED [ChEBI:] xref: ChemIDplus:36877-69-7 "CAS Registry Number" xref: CiteXplore:20371259 "PubMed citation" is_a: CHEBI:37929 relationship: has_role CHEBI:51217 is_a: CHEBI:36094 is_a: CHEBI:52221 [Term] id: CHEBI:60608 name: rhodamine B 5-isothiocyanate def: "The 5-isomer of rhodamine B isothiocyanate." [] synonym: "N-[9-(2-carboxy-4-isothiocyanatophenyl)-6-(diethylamino)-3H-xanthen-3-ylidene]-N-ethylethanaminium chloride" EXACT IUPAC_NAME [IUPAC:] synonym: "RITC" RELATED [ChEBI:] synonym: "rhodamine B isothiocyanate 5-isomer" RELATED [ChEBI:] synonym: "C29H30ClN3O3S" RELATED FORMULA [ChEBI:] synonym: "[Cl-].CCN(CC)c1ccc2c(-c3ccc(cc3C(O)=O)N=C=S)c3ccc(cc3oc2c1)=[N+](CC)CC" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C29H29N3O3S.ClH/c1-5-31(6-2)20-10-13-23-26(16-20)35-27-17-21(32(7-3)8-4)11-14-24(27)28(23)22-12-9-19(30-18-36)15-25(22)29(33)34;/h9-17H,5-8H2,1-4H3;1H" RELATED InChI [ChEBI:] synonym: "InChIKey=YVSWPCCVTYEEHG-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: ChemIDplus:36877-69-7 "CAS Registry Number" xref: Beilstein:10753432 "Beilstein Registry Number" xref: CiteXplore:20371259 "PubMed citation" is_a: CHEBI:60604 relationship: has_role CHEBI:51217 [Term] id: CHEBI:60609 name: rhodamine B 6-isothiocyanate def: "The 6-isomer of rhodamine B isothiocyanate." [] synonym: "rhodamine B isothiocyanate 6-isomer" RELATED [ChEBI:] synonym: "RITC" RELATED [ChEBI:] synonym: "N-[9-(2-carboxy-5-isothiocyanatophenyl)-6-(diethylamino)-3H-xanthen-3-ylidene]-N-ethylethanaminium chloride" EXACT IUPAC_NAME [IUPAC:] synonym: "C29H30N3O3S" RELATED FORMULA [ChEBI:] synonym: "CCN(CC)c1ccc2c(-c3cc(ccc3C(O)=O)N=C=S)c3ccc(cc3oc2c1)=[N+](CC)CC" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C29H29N3O3S/c1-5-31(6-2)20-10-13-23-26(16-20)35-27-17-21(32(7-3)8-4)11-14-24(27)28(23)25-15-19(30-18-36)9-12-22(25)29(33)34/h9-17H,5-8H2,1-4H3/p+1" RELATED InChI [ChEBI:] synonym: "InChIKey=AVJBELCJSGWQNV-UHFFFAOYSA-O" RELATED InChIKey [ChEBI:] xref: CiteXplore:20371259 "PubMed citation" is_a: CHEBI:60604 relationship: has_role CHEBI:51217 [Term] id: CHEBI:34845 name: metipranolol hydrochloride def: "The hydrochloride salt of metipranolol. A non-cardioselective beta-blocker, it is used to lower intra-ocular pressure in the management of open-angle glaucoma." [] synonym: "3-[4-(acetyloxy)-2,3,5-trimethylphenoxy]-2-hydroxy-N-(propan-2-yl)propan-1-aminium chloride" RELATED [IUPAC:] synonym: "Metipranolol hydrochloride" EXACT [KEGG COMPOUND:] synonym: "4-[2-hydroxy-3-(propan-2-ylamino)propoxy]-2,3,6-trimethylphenyl acetate hydrochloride" EXACT IUPAC_NAME [IUPAC:] synonym: "metipranolol HCl" RELATED [ChEBI:] synonym: "C17H27NO4.HCl" RELATED FORMULA [KEGG COMPOUND:] synonym: "C17H28ClNO4" RELATED FORMULA [ChEBI:] synonym: "[Cl-].CC(C)[NH2+]CC(O)COc1cc(C)c(OC(C)=O)c(C)c1C" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C17H27NO4.ClH/c1-10(2)18-8-15(20)9-21-16-7-11(3)17(22-14(6)19)13(5)12(16)4;/h7,10,15,18,20H,8-9H2,1-6H3;1H" RELATED InChI [ChEBI:] synonym: "InChIKey=BLWNYSZZZWQCKO-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: KEGG DRUG:D02081 "KEGG DRUG" xref: Reaxys:6673751 "Reaxys Registry Number" xref: KEGG COMPOUND:C13591 "KEGG COMPOUND" xref: KEGG COMPOUND:36592-77-5 "CAS Registry Number" xref: CiteXplore:7916025 "PubMed citation" xref: CiteXplore:2873545 "PubMed citation" xref: ChemIDplus:36592-77-5 "CAS Registry Number" xref: DrugBank:DB01214 "DrugBank" is_a: CHEBI:36094 relationship: has_role CHEBI:35530 relationship: has_role CHEBI:38070 relationship: has_role CHEBI:35674 relationship: has_role CHEBI:39456 [Term] id: CHEBI:61040 name: phosphorylcholine chloride def: "An organic chloride salt comprising a choline phosphate cation and chloride anion." [] synonym: "choline phosphate chloride" RELATED [ChemIDplus:] synonym: "trimethyl(2-(phosphonooxy)ethyl)ammonium chloride" RELATED [ChemIDplus:] synonym: "N,N,N-trimethyl-2-(phosphonooxy)ethanaminium chloride" EXACT IUPAC_NAME [IUPAC:] synonym: "phosphocholine chloride" RELATED [ChEBI:] synonym: "[2-(phosphonooxy)ethyl]trimethylammonium chloride" RELATED [ChEBI:] synonym: "PC-Cl" RELATED [ChEBI:] synonym: "C5H15ClNO4P" RELATED FORMULA [ChEBI:] synonym: "[Cl-].C[N+](C)(C)CCOP(O)(O)=O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C5H14NO4P.ClH/c1-6(2,3)4-5-10-11(7,8)9;/h4-5H2,1-3H3,(H-,7,8,9);1H" RELATED InChI [ChEBI:] synonym: "InChIKey=PYJNAPOPMIJKJZ-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: Reaxys:3743805 "Reaxys Registry Number" xref: ChemIDplus:107-73-3 "CAS Registry Number" xref: CiteXplore:846320 "PubMed citation" xref: CiteXplore:10862788 "PubMed citation" is_a: CHEBI:36094 relationship: has_part CHEBI:18132 relationship: has_part CHEBI:17996 [Term] id: CHEBI:61340 name: 1-hexyl-3-methylimidazolium chloride def: "An organic chloride salt in which the cationic component is 1-hexyl-3-methylimidazolium." [] synonym: "1-hexyl-3-methyl-1H-imidazol-3-ium chloride" EXACT IUPAC_NAME [IUPAC:] synonym: "C10H19ClN2" RELATED FORMULA [ChEBI:] synonym: "[Cl-].CCCCCCn1cc[n+](C)c1" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C10H19N2.ClH/c1-3-4-5-6-7-12-9-8-11(2)10-12;/h8-10H,3-7H2,1-2H3;1H/q+1;/p-1" RELATED InChI [ChEBI:] synonym: "InChIKey=NKRASMXHSQKLHA-UHFFFAOYSA-M" RELATED InChIKey [ChEBI:] xref: Reaxys:8356525 "Reaxys Registry Number" is_a: CHEBI:36094 relationship: has_part CHEBI:61337 [Term] id: CHEBI:61342 name: 3-methyl-1-octylimidazolium chloride def: "An organic chloride salt in which the cationic component is 3-methyl-1-octylimidazolium." [] synonym: "3-methyl-1-octyl-1H-imidazol-3-ium chloride" EXACT IUPAC_NAME [IUPAC:] synonym: "1-octyl-3-methylimidazolium chloride" RELATED [ChEBI:] synonym: "C12H23ClN2" RELATED FORMULA [ChEBI:] synonym: "[Cl-].CCCCCCCCn1cc[n+](C)c1" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C12H23N2.ClH/c1-3-4-5-6-7-8-9-14-11-10-13(2)12-14;/h10-12H,3-9H2,1-2H3;1H/q+1;/p-1" RELATED InChI [ChEBI:] synonym: "InChIKey=OXFBEEDAZHXDHB-UHFFFAOYSA-M" RELATED InChIKey [ChEBI:] xref: Reaxys:8361713 "Reaxys Registry Number" is_a: CHEBI:36094 relationship: has_part CHEBI:61341 [Term] id: CHEBI:61348 name: 1-decyl-3-methylimidazolium chloride def: "An organic chloride salt in which the cationic component is 1-decyl-3-methylimidazolium." [] synonym: "[C10mim][Cl]" RELATED [ChEBI:] synonym: "1-decyl-3-methyl-1H-imidazol-3-ium chloride" EXACT IUPAC_NAME [IUPAC:] synonym: "C14H27ClN2" RELATED FORMULA [ChEBI:] synonym: "[Cl-].CCCCCCCCCCn1cc[n+](C)c1" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C14H27N2.ClH/c1-3-4-5-6-7-8-9-10-11-16-13-12-15(2)14-16;/h12-14H,3-11H2,1-2H3;1H/q+1;/p-1" RELATED InChI [ChEBI:] synonym: "InChIKey=HTZVLLVRJHAJJF-UHFFFAOYSA-M" RELATED InChIKey [ChEBI:] xref: Reaxys:8365969 "Reaxys Registry Number" is_a: CHEBI:36094 relationship: has_part CHEBI:61347 [Term] id: CHEBI:18290 name: thiamine(1+) diphosphate chloride alt_id: CHEBI:26943 def: "A thiamine phosphate that has formula C12H19ClN4O7P2S." [] synonym: "cocarboxylasum" RELATED INN [ChemIDplus:] synonym: "3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-[2-(diphosphooxy)ethyl]-4-methyl-1,3-thiazol-3-ium chloride" EXACT IUPAC_NAME [IUPAC:] synonym: "Thiazolium, 3-((4-amino-2-methyl-5-pyrimidinyl)methyl)-4-methyl-5-(4,6,6-trihydroxy-3,5-dioxa-4,6-diphosphahex-1-yl)-, chloride, P,P'-dioxide" RELATED [ChemIDplus:] synonym: "thiamine pyrophosphate" RELATED [ChemIDplus:] synonym: "cocarboxilasa" RELATED INN [ChemIDplus:] synonym: "thiamine diphosphate chloride" RELATED [ChEBI:] synonym: "Coenzymate" RELATED [KEGG DRUG:] synonym: "cocarboxylase" RELATED INN [ChemIDplus:] synonym: "3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-diphosphoethyl)-4-methyl-1,3-thiazolium chloride" RELATED [IUBMB:] synonym: "C12H19ClN4O7P2S" RELATED FORMULA [ChEBI:] synonym: "[Cl-].Cc1ncc(C[n+]2csc(CCOP(O)(=O)OP(O)(O)=O)c2C)c(N)n1" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C12H18N4O7P2S.ClH/c1-8-11(3-4-22-25(20,21)23-24(17,18)19)26-7-16(8)6-10-5-14-9(2)15-12(10)13;/h5,7H,3-4,6H2,1-2H3,(H4-,13,14,15,17,18,19,20,21);1H" RELATED InChI [ChEBI:] synonym: "InChIKey=YXVCLPJQTZXJLH-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: KEGG DRUG:D01225 "KEGG DRUG" xref: Beilstein:3875902 "Beilstein Registry Number" xref: DrugBank:DB01987 "DrugBank" xref: ChemIDplus:154-87-0 "CAS Registry Number" relationship: has_part CHEBI:9532 relationship: has_part CHEBI:63048 is_a: CHEBI:36094 is_a: CHEBI:26945 [Term] id: CHEBI:18338 name: thiamine(1+) monophosphate chloride alt_id: CHEBI:26944 def: "A thiamine phosphate that has formula C12H18ClN4O4PS." [] synonym: "Thiamin dihydrogenphosphatchlorid" RELATED [ChemIDplus:] synonym: "3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-5-[2-(phosphonooxy)ethyl]-1,3-thiazol-3-ium chloride" EXACT IUPAC_NAME [IUPAC:] synonym: "vitamin B1 monophosphate" RELATED [ChemIDplus:] synonym: "monophosphothiaminum" RELATED INN [ChemIDplus:] synonym: "monofosfotiamina" RELATED INN [ChemIDplus:] synonym: "vitamin B1 phosphate" RELATED [ChemIDplus:] synonym: "thiamine monophosphate chloride" RELATED [ChemIDplus:] synonym: "monophosphothiamine" RELATED INN [ChemIDplus:] synonym: "monophosphoric ester of thiamine" RELATED [ChemIDplus:] synonym: "C12H18ClN4O4PS" RELATED FORMULA [ChEBI:] synonym: "[Cl-].Cc1ncc(C[n+]2csc(CCOP(O)(O)=O)c2C)c(N)n1" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C12H17N4O4PS.ClH/c1-8-11(3-4-20-21(17,18)19)22-7-16(8)6-10-5-14-9(2)15-12(10)13;/h5,7H,3-4,6H2,1-2H3,(H3-,13,14,15,17,18,19);1H" RELATED InChI [ChEBI:] synonym: "InChIKey=GUGWNSHJDUEHNJ-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: Gmelin:1107622 "Gmelin Registry Number" xref: Beilstein:3844977 "Beilstein Registry Number" xref: DrugBank:DB03416 "DrugBank" xref: ChemIDplus:532-40-1 "CAS Registry Number" relationship: has_part CHEBI:9533 is_a: CHEBI:36094 is_a: CHEBI:26945 [Term] id: CHEBI:67217 name: 1-\{4-[(2-hydroxyethyl)carbamoyl]benzyl\}-1-methylpiperidinium chloride def: "An organic chloride salt in which the cationic component is 1-{4-[(2-hydroxyethyl)carbamoyl]benzyl}-1-methylpiperidinium." [] synonym: "1-{4-[(2-hydroxyethyl)carbamoyl]benzyl}-1-methylpiperidinium chloride" EXACT IUPAC_NAME [IUPAC:] synonym: "N-((4'-((hydroxyethyl)carbamido)phenyl)methyl)-N-methylpiperidinium chloride" RELATED [ChEBI:] synonym: "C16H25ClN2O2" RELATED FORMULA [ChEBI:] synonym: "[Cl-].C[N+]1(CCCCC1)Cc1ccc(cc1)C(=O)NCCO" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C16H24N2O2.ClH/c1-18(10-3-2-4-11-18)13-14-5-7-15(8-6-14)16(20)17-9-12-19;/h5-8,19H,2-4,9-13H2,1H3;1H" RELATED InChI [ChEBI:] synonym: "InChIKey=QLFUBTRNYDJFMQ-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: Reaxys:4897508 "Reaxys Registry Number" is_a: CHEBI:36094 relationship: has_part CHEBI:67216 [Term] id: CHEBI:72443 name: tetramethylrosamine chloride def: "The chloride salt of tetramethylrosamine. Used as a red-orange fluorescent dye." [] synonym: "6-(dimethylamino)-N,N-dimethyl-9-phenyl-3H-xanthen-3-iminium chloride" EXACT IUPAC_NAME [IUPAC:] synonym: "C23H23ClN2O" RELATED FORMULA [ChEBI:] synonym: "[Cl-].CN(C)c1ccc2c(-c3ccccc3)c3ccc(cc3oc2c1)=[N+](C)C" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C23H23N2O.ClH/c1-24(2)17-10-12-19-21(14-17)26-22-15-18(25(3)4)11-13-20(22)23(19)16-8-6-5-7-9-16;/h5-15H,1-4H3;1H/q+1;/p-1" RELATED InChI [ChEBI:] synonym: "InChIKey=KXVADGBQPMPMIQ-UHFFFAOYSA-M" RELATED InChIKey [ChEBI:] xref: CiteXplore:2018489 "PubMed citation" xref: Reaxys:3923809 "Reaxys Registry Number" is_a: CHEBI:36094 relationship: has_role CHEBI:51217 relationship: has_part CHEBI:45358 [Term] id: CHEBI:72449 name: malachite green def: "An organic chloride salt that is the monochloride salt of malachite green cation. Used as a green-coloured dye." [] synonym: "malachite green chloride" RELATED [ChEBI:] synonym: "(4-(4-Dimethylaminobenzhydriylidene)cyclohexa-2,5-dienylidene)dimethylammonium chloride" RELATED [ChemIDplus:] synonym: "4-{[4-(dimethylamino)phenyl](phenyl)methylene}-N,N-dimethylcyclohexa-2,5-dien-1-iminium chloride" EXACT IUPAC_NAME [IUPAC:] synonym: "malachite green chloride salt" RELATED [ChEBI:] synonym: "(4-(alpha-(4-Dimethylamino)phenyl)benzylidene)cyclohexa-2,5-dien-1-ylidene dimethylammonium chloride" RELATED [ChemIDplus:] synonym: "C23H25ClN2" RELATED FORMULA [ChEBI:] synonym: "[Cl-].CN(C)c1ccc(cc1)C(c1ccccc1)=C1C=CC(C=C1)=[N+](C)C" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C23H25N2.ClH/c1-24(2)21-14-10-19(11-15-21)23(18-8-6-5-7-9-18)20-12-16-22(17-13-20)25(3)4;/h5-17H,1-4H3;1H/q+1;/p-1" RELATED InChI [ChEBI:] synonym: "InChIKey=FDZZZRQASAIRJF-UHFFFAOYSA-M" RELATED InChIKey [ChEBI:] xref: KEGG COMPOUND:C18367 "KEGG COMPOUND" xref: KEGG COMPOUND:569-64-2 "CAS Registry Number" xref: CiteXplore:22526306 "PubMed citation" xref: ChemIDplus:569-64-2 "CAS Registry Number" xref: CiteXplore:22236952 "PubMed citation" xref: CiteXplore:23122763 "PubMed citation" xref: CiteXplore:22623907 "PubMed citation" xref: Patent:WO2008063374 "Patent" xref: CiteXplore:23199816 "PubMed citation" xref: CiteXplore:23323052 "PubMed citation" xref: Reaxys:3580148 "Reaxys Registry Number" xref: CiteXplore:23296502 "PubMed citation" xref: Wikipedia:Malachite_green "Wikipedia" xref: CiteXplore:23203820 "PubMed citation" xref: CiteXplore:23286983 "PubMed citation" is_a: CHEBI:36094 relationship: has_part CHEBI:44107 relationship: has_role CHEBI:36047 relationship: has_role CHEBI:51217 relationship: has_role CHEBI:24127 [Term] id: CHEBI:38698 name: anthocyanin chlorides def: "An organic chloride salt of any member of the class of anthocyanins." [] is_a: CHEBI:38697 is_a: CHEBI:36094 [Term] id: CHEBI:37664 name: cyanidin 3-O-beta-D-galactoside chloride def: "A memeber of the class of anthocyanin chlorides that has cyanidin 3-O-beta-D-galactoside as the cationic counterpart." [] synonym: "3-(beta-D-galactopyranosyloxy)-3',4',5,7-tetrahydroxyflavylium chloride" EXACT IUPAC_NAME [IUPAC:] synonym: "C21H21ClO11" RELATED FORMULA [ChEBI:] synonym: "[Cl-].OC[C@H]1O[C@@H](Oc2cc3c(O)cc(O)cc3[o+]c2-c2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@H]1O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C21H20O11.ClH/c22-7-16-17(27)18(28)19(29)21(32-16)31-15-6-10-12(25)4-9(23)5-14(10)30-20(15)8-1-2-11(24)13(26)3-8;/h1-6,16-19,21-22,27-29H,7H2,(H3-,23,24,25,26);1H/t16-,17+,18+,19-,21-;/m1./s1" RELATED InChI [ChEBI:] synonym: "InChIKey=YTMNONATNXDQJF-QSLGVYCOSA-N" RELATED InChIKey [ChEBI:] xref: ChemIDplus:27661-36-5 "CAS Registry Number" relationship: has_part CHEBI:27475 is_a: CHEBI:38698 [Term] id: CHEBI:36122 name: pelargonidin 3-O-beta-D-glucoside chloride def: "A member of the class of anthocyanin chlorides that has pelargonidin 3-O-beta-D-glucoside as the cationic counterpart." [] synonym: "3-(beta-D-glucopyranosyloxy)-4',5,7-trihydroxyflavylium chloride" EXACT IUPAC_NAME [IUPAC:] synonym: "C21H21ClO10" RELATED FORMULA [ChEBI:] synonym: "[Cl-].OC[C@H]1O[C@@H](Oc2cc3c(O)cc(O)cc3[o+]c2-c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C21H20O10.ClH/c22-8-16-17(26)18(27)19(28)21(31-16)30-15-7-12-13(25)5-11(24)6-14(12)29-20(15)9-1-3-10(23)4-2-9;/h1-7,16-19,21-22,26-28H,8H2,(H2-,23,24,25);1H/t16-,17-,18+,19-,21-;/m1./s1" RELATED InChI [ChEBI:] synonym: "InChIKey=CAHGSEFWVUVGGL-UBNZBFALSA-N" RELATED InChIKey [ChEBI:] xref: ChemIDplus:18466-51-8 "CAS Registry Number" xref: Reaxys:3901091 "Reaxys Registry Number" xref: Beilstein:3901091 "Beilstein Registry Number" relationship: has_part CHEBI:31967 is_a: CHEBI:38698 [Term] id: CHEBI:38021 name: cyanin chloride def: "A member of the class of anthocyanin chlorides that has cyanin cation as the cationic counterpart." [] synonym: "2-(3,4-dihydroxyphenyl)-3-(beta-D-glucopyranosyloxy)-7-hydroxychromenylium-5-yl beta-D-glucopyranoside chloride" RELATED [IUPAC:] synonym: "2-(3,4-dihydroxyphenyl)-3,5-bis(beta-D-glucopyranosyloxy)-7-hydroxy-1-benzopyrylium chloride" RELATED [ChemIDplus:] synonym: "3,5-bis(beta-D-glucopyranosyloxy)-3',4',7-trihydroxyflavylium chloride" EXACT IUPAC_NAME [IUPAC:] synonym: "C27H31ClO16" RELATED FORMULA [ChEBI:] synonym: "[Cl-].OC[C@H]1O[C@@H](Oc2cc3c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(O)cc3[o+]c2-c2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C27H30O16.ClH/c28-7-17-19(33)21(35)23(37)26(42-17)40-15-5-10(30)4-14-11(15)6-16(25(39-14)9-1-2-12(31)13(32)3-9)41-27-24(38)22(36)20(34)18(8-29)43-27;/h1-6,17-24,26-29,33-38H,7-8H2,(H2-,30,31,32);1H/t17-,18-,19-,20-,21+,22+,23-,24-,26-,27-;/m1./s1" RELATED InChI [ChEBI:] synonym: "InChIKey=QDVZZZBBPRFPDG-DHJOXOLYSA-N" RELATED InChIKey [ChEBI:] xref: Reaxys:3893276 "Reaxys Registry Number" xref: Beilstein:3893276 "Beilstein Registry Number" xref: ChemIDplus:2611-67-8 "CAS Registry Number" relationship: has_part CHEBI:3978 is_a: CHEBI:38698 [Term] id: CHEBI:16726 name: cyanidin 3-O-rutinoside chloride alt_id: CHEBI:14039 alt_id: CHEBI:23431 alt_id: CHEBI:3976 def: "A member of the class of anthocyanin chlorides that has cyanidin 3-O-rutinoside as the cationic counterpart." [] synonym: "2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenium-3-yl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside chloride" EXACT IUPAC_NAME [IUPAC:] synonym: "Keracyanin" RELATED [KEGG COMPOUND:] synonym: "Prunicyanin" RELATED [ChemIDplus:] synonym: "Cyanidin-3-rhamnoglucoside chloride" RELATED [KEGG COMPOUND:] synonym: "Cyanidin-3-rhamnoglucoside chloride" RELATED [ChemIDplus:] synonym: "Sambucin" RELATED [ChemIDplus:] synonym: "Antirrhinin" RELATED [ChemIDplus:] synonym: "C27H31ClO15" RELATED FORMULA [ChEBI:] synonym: "[Cl-].C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3cc4c(O)cc(O)cc4[o+]c3-c3ccc(O)c(O)c3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C27H30O15.ClH/c1-9-19(32)21(34)23(36)26(39-9)38-8-18-20(33)22(35)24(37)27(42-18)41-17-7-12-14(30)5-11(28)6-16(12)40-25(17)10-2-3-13(29)15(31)4-10;/h2-7,9,18-24,26-27,32-37H,8H2,1H3,(H3-,28,29,30,31);1H/t9-,18+,19-,20+,21+,22-,23+,24+,26+,27+;/m0./s1" RELATED InChI [ChEBI:] synonym: "InChIKey=ADZHXBNWNZIHIX-XYGAWYNKSA-N" RELATED InChIKey [ChEBI:] xref: KEGG COMPOUND:18719-76-1 "CAS Registry Number" xref: ChemIDplus:18719-76-1 "CAS Registry Number" xref: KEGG COMPOUND:C04491 "KEGG COMPOUND" is_a: CHEBI:38698 relationship: has_part CHEBI:28064 [Term] id: CHEBI:72702 name: 1,3-dimethyl-2-[(2-oxopropyl)thio]imidazolium chloride def: "An organic chloride salt in which the cationic component is 1,3-dimethyl-2-[(2-oxopropyl)thio]imidazolium." [] synonym: "1,3-dimethyl-2-[(2-oxopropyl)sulfanyl]-1H-imidazol-3-ium chloride" EXACT IUPAC_NAME [IUPAC:] synonym: "R283" RELATED [ChEBI:] synonym: "2MeOTI Chloride" RELATED [ChemIDplus:] synonym: "C8H13ClN2OS" RELATED FORMULA [ChEBI:] synonym: "[Cl-].CC(=O)CSc1n(C)cc[n+]1C" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C8H13N2OS.ClH/c1-7(11)6-12-8-9(2)4-5-10(8)3;/h4-5H,6H2,1-3H3;1H/q+1;/p-1" RELATED InChI [ChEBI:] synonym: "InChIKey=NFZZAUJDSJWLTQ-UHFFFAOYSA-M" RELATED InChIKey [ChEBI:] xref: SUBMITTER:22442151 "PubMed citation" xref: Reaxys:15050640 "Reaxys Registry Number" xref: CiteXplore:21935707 "PubMed citation" xref: CiteXplore:22878839 "PubMed citation" xref: ChemIDplus:135273-74-4 "CAS Registry Number" xref: Patent:US4968713 "Patent" is_a: CHEBI:36094 relationship: has_role CHEBI:72716 relationship: has_part CHEBI:72717 [Term] id: CHEBI:31185 name: alcuronium chloride alt_id: CHEBI:296356 def: "Chloride salt of alcuronium." [] synonym: "(1R,3aR,9Z,10S,11aS,12R,14aR,19aS,20Z,20bS,21S,22aS,23E,26E)-23,26-bis(2-hydroxyethylidene)-1,12-di(prop-2-en-1-yl)-1,2,3,10,11,11a,12,13,14,21,22,22a-dodecahydro-19aH,20bH-1,21:10,12-diethanodipyrrolo[3,2-f:3,2-f'][1,5]diazocino[3,2,1-jk:7,6,5-j'k']dicarbazole-1,12-diium dichloride" EXACT IUPAC_NAME [IUPAC:] synonym: "4,4'-Didemethyl-4,4'-di-2-propenyltoxiferine I dichloride" RELATED [ChemIDplus:] synonym: "Diallylnortoxiferine dichloride" RELATED [ChemIDplus:] synonym: "Alcuronium dichloride" RELATED [ChemIDplus:] synonym: "alcuronii chloridum" RELATED INN [ChemIDplus:] synonym: "alcuronium chloride" RELATED INN [KEGG DRUG:] synonym: "cloruro de alcuronio" RELATED INN [WHO MedNet:] synonym: "chlorure d'alcuronium" RELATED INN [ChemIDplus:] synonym: "Alloferin" RELATED [ChemIDplus:] synonym: "N,N'-Diallylnortoxiferinium dichloride" RELATED [ChemIDplus:] synonym: "C44H50N4O2.2Cl" RELATED FORMULA [KEGG COMPOUND:] synonym: "C44H50Cl2N4O2" RELATED FORMULA [ChEBI:] synonym: "[Cl-].[Cl-].[H][C@]12C[C@@]3([H])[C@@]4(CC[N@@+]3(CC=C)C\\C1=C\\CO)c1ccccc1N1\\C=C3\\[C@@]5([H])C[C@@]6([H])[C@@]7(CC[N@@+]6(CC=C)C\\C5=C\\CO)c5ccccc5N(\\C=C2/[C@@]41[H])[C@@]37[H]" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C44H50N4O2.2ClH/c1-3-17-47-19-15-43-35-9-5-7-11-37(35)45-26-34-32-24-40-44(16-20-48(40,18-4-2)28-30(32)14-22-50)36-10-6-8-12-38(36)46(42(34)44)25-33(41(43)45)31(23-39(43)47)29(27-47)13-21-49;;/h3-14,25-26,31-32,39-42,49-50H,1-2,15-24,27-28H2;2*1H/q+2;;/p-2/b29-13-,30-14-,33-25-,34-26-;;/t31-,32-,39-,40-,41-,42-,43+,44+,47-,48-;;/m0../s1" RELATED InChI [ChEBI:] synonym: "InChIKey=CPYGBGOXCJJJGC-GKLGUMFISA-L" RELATED InChIKey [ChEBI:] xref: Reaxys:8184839 "Reaxys Registry Number" xref: KEGG DRUG:D01215 "KEGG DRUG" is_a: CHEBI:23114 relationship: has_part CHEBI:55313 [Term] id: CHEBI:133341 name: choline chloride def: "A quaternary ammonium salt with choline cation and chloride anion." [] synonym: "Choline hydrochloride" RELATED [ChemIDplus:] synonym: "(2-Hydroxyethyl)trimethylammonium chloride" RELATED [ChemIDplus:] synonym: "(beta-Hydroxyethyl)trimethylammonium chloride" RELATED [ChemIDplus:] synonym: "Cloruro de colina" RELATED INN [ChemIDplus:] synonym: "Cholini chloridum" RELATED INN [ChemIDplus:] synonym: "Trimethyl(2-hydroxyethyl)ammonium chloride" RELATED [ChemIDplus:] synonym: "choline chloride" RELATED INN [ChEBI:] synonym: "Cholinium chloride" RELATED [ChemIDplus:] synonym: "Hepacholine" RELATED [ChemIDplus:] synonym: "Chlorure de choline" RELATED INN [ChemIDplus:] synonym: "2-Hydroxy-N,N,N,-trimethylethanaminium chloride" RELATED [ChemIDplus:] synonym: "Choline chlorhydrate" RELATED [ChemIDplus:] synonym: "2-hydroxy-N,N,N-trimethylethanaminium chloride" EXACT IUPAC_NAME [IUPAC:] synonym: "Bilineurin chloride" RELATED [ChemIDplus:] synonym: "Paresan" RELATED [ChemIDplus:] synonym: "Biocolina" RELATED [ChemIDplus:] synonym: "Biocoline" RELATED [ChemIDplus:] synonym: "Lipotril" RELATED [ChemIDplus:] synonym: "Chloride de choline" RELATED [ChemIDplus:] synonym: "Luridin chloride" RELATED [ChemIDplus:] synonym: "C5H14ClNO" RELATED FORMULA [ChEBI:] synonym: "[Cl-].C[N+](C)(C)CCO" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C5H14NO.ClH/c1-6(2,3)4-5-7;/h7H,4-5H2,1-3H3;1H/q+1;/p-1" RELATED InChI [ChEBI:] synonym: "InChIKey=SGMZJAMFUVOLNK-UHFFFAOYSA-M" RELATED InChIKey [ChEBI:] xref: NIST Chemistry WebBook:67-48-1 "CAS Registry Number" xref: CiteXplore:6196640 "PubMed citation" xref: Wikipedia:Choline_Chloride "Wikipedia" xref: ChemIDplus:67-48-1 "CAS Registry Number" xref: Beilstein:3563126 "Beilstein Registry Number" is_a: CHEBI:23114 relationship: has_part CHEBI:15354 is_a: CHEBI:35273 [Term] id: CHEBI:3085 name: bethanechol chloride def: "The chloride salt of bethanechol. A slowly hydrolysed muscarinic agonist with no nicotinic effects, it is used to increase smooth muscle tone, as in the gastrointestinal tract following abdominal surgery, treatment of gastro-oesophageal reflux disease, and as an alternative to catheterisation in the treatment of non-obstructive urinary retention." [] synonym: "(2-hydroxypropyl)trimethylammonium chloride carbamate" RELATED [ChemIDplus:] synonym: "trimethyl(2-carbamoyloxypropyl)ammonium chloride" RELATED [ChemIDplus:] synonym: "2-carbamoyloxypropyltrimethylammonium chloride" RELATED [ChemIDplus:] synonym: "2-((aminocarbonyl)oxy)-N,N,N-trimethyl-1-propanaminium chloride" RELATED [ChemIDplus:] synonym: "2-(carbamoyloxy)-N,N,N-trimethylpropan-1-aminium chloride" EXACT IUPAC_NAME [IUPAC:] synonym: "C7H17ClN2O2" RELATED FORMULA [ChEBI:] synonym: "[Cl-].CC(C[N+](C)(C)C)OC(N)=O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C7H16N2O2.ClH/c1-6(11-7(8)10)5-9(2,3)4;/h6H,5H2,1-4H3,(H-,8,10);1H" RELATED InChI [ChEBI:] synonym: "InChIKey=XXRMYXBSBOVVBH-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: DrugBank:DB01019 "DrugBank" xref: Wikipedia:Bethanechol "Wikipedia" xref: Beilstein:3731819 "Beilstein Registry Number" xref: Patent:US1894162 "Patent" xref: Patent:US2322375 "Patent" xref: ChemIDplus:590-63-6 "CAS Registry Number" xref: KEGG DRUG:D01000 "KEGG DRUG" is_a: CHEBI:23003 is_a: CHEBI:35273 relationship: has_part CHEBI:3084 relationship: has_role CHEBI:38325 is_a: CHEBI:23114 [Term] id: CHEBI:59262 name: (R)-bethanechol chloride def: "The (R)-enantiomer of bethanechol chloride." [] synonym: "(2R)-2-(carbamoyloxy)-N,N,N-trimethylpropan-1-aminium chloride" EXACT IUPAC_NAME [IUPAC:] synonym: "(R)-carbamoyl-beta-methylcholine chloride" RELATED [ChEBI:] synonym: "(R)-2-((aminocarbonyl)oxy)-N,N,N-trimethyl-1-propanaminium chloride" RELATED [ChEBI:] synonym: "(R)-(-)-carbamoyl-beta-methylcholine chloride" RELATED [ChEBI:] synonym: "(-)-carbamoyl-beta-methylcholine chloride" RELATED [ChEBI:] synonym: "C7H17ClN2O2" RELATED FORMULA [ChEBI:] synonym: "[Cl-].C[C@H](C[N+](C)(C)C)OC(N)=O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C7H16N2O2.ClH/c1-6(11-7(8)10)5-9(2,3)4;/h6H,5H2,1-4H3,(H-,8,10);1H/t6-;/m1./s1" RELATED InChI [ChEBI:] synonym: "InChIKey=XXRMYXBSBOVVBH-FYZOBXCZSA-N" RELATED InChIKey [ChEBI:] xref: DrugBank:DB01019 "DrugBank" is_a: CHEBI:3085 relationship: is_enantiomer_of CHEBI:59263 [Term] id: CHEBI:59263 name: (S)-bethanechol chloride def: "The (S)-enantiomer of bethanechol chloride." [] synonym: "(S)-carbamoyl-beta-methylcholine chloride" RELATED [ChEBI:] synonym: "(S)-2-((aminocarbonyl)oxy)-N,N,N-trimethyl-1-propanaminium chloride" RELATED [ChEBI:] synonym: "(S)-(+)-carbamoyl-beta-methylcholine chloride" RELATED [ChEBI:] synonym: "(+)-carbamoyl-beta-methylcholine chloride" RELATED [ChEBI:] synonym: "(2S)-2-(carbamoyloxy)-N,N,N-trimethylpropan-1-aminium chloride" EXACT IUPAC_NAME [IUPAC:] synonym: "C7H17ClN2O2" RELATED FORMULA [ChEBI:] synonym: "[Cl-].C[C@@H](C[N+](C)(C)C)OC(N)=O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C7H16N2O2.ClH/c1-6(11-7(8)10)5-9(2,3)4;/h6H,5H2,1-4H3,(H-,8,10);1H/t6-;/m0./s1" RELATED InChI [ChEBI:] synonym: "InChIKey=XXRMYXBSBOVVBH-RGMNGODLSA-N" RELATED InChIKey [ChEBI:] xref: DrugBank:DB01019 "DrugBank" is_a: CHEBI:3085 relationship: is_enantiomer_of CHEBI:59262 [Term] id: CHEBI:4707 name: doxacurium chloride def: "The dichloride salt of doxacurium. It is a mixture of the (1R,2S,1'S,2'R), (1R,2S,1'R,2'S) and (1S,2R,1'S,2'R) stereoisomers (a meso isomer and two enantiomers, respectively) of 2,2'-[(1,4-dioxobutane-1,4-diyl)bis(oxypropane-3,1-diyl)]bis[6,7,8-trimethoxy-2-methyl-1-(3,4,5-trimethoxybenzyl)-1,2,3,4-tetrahydroisoquinolinium] dichloride, all of which are in a trans configuration at the 1 and 2 positions of the tetrahydroisoquinolinium rings. A competitive neuromuscular blocker, it is used to provide muscle relaxation in general anaesthesia and to facilitate mechanical ventilation in patients in intensive care." [] synonym: "chlorure de doxacurium" RELATED INN [ChemIDplus:] synonym: "cloruro de doxacurio" RELATED INN [ChemIDplus:] synonym: "(1R,2S;1S,2R)-1,2,3,4-tetrahydro-2-(3-hydroxypropyl)-6,7,8-trimethoxy-2-methyl-1-(3,4,5-trimethoxybenzyl)isoquinolinium chloride, succinate (2:1), mixture with (+-)-(1R*,2S*;1R*,2S*)-1,2,3,4-tetrahydro-2-(3-hydroxypropyl)-6,7,8-trimethoxy-2-methyl-1-(3,4,5-trimethoxybenzyl)isoquinolinium chloride, succinate (2:1)" RELATED [ChemIDplus:] synonym: "doxacurii chloridum" RELATED INN [ChemIDplus:] synonym: "doxacurium chloride" RELATED INN [ChemIDplus:] synonym: "C56H78Cl2N2O16" RELATED FORMULA [ChEBI:] xref: DrugBank:DB01334 "DrugBank" xref: Patent:US4701460 "Patent" xref: ChemIDplus:106819-53-8 "CAS Registry Number" xref: Beilstein:9689361 "Beilstein Registry Number" xref: KEGG DRUG:D00760 "KEGG DRUG" xref: Beilstein:9184298 "Beilstein Registry Number" xref: DrugBank:DB01135 "DrugBank" xref: KEGG DRUG:106819-53-8 "CAS Registry Number" is_a: CHEBI:35273 relationship: has_part CHEBI:4706 is_a: CHEBI:23114 relationship: has_part CHEBI:59819 relationship: has_part CHEBI:59821 relationship: has_part CHEBI:59823 relationship: has_role CHEBI:51371 is_a: CHEBI:51307 [Term] id: CHEBI:59819 name: meso-doxacurium chloride def: "The dichloride salt of meso-doxacurium." [] synonym: "(1R,2S;1S,2R)-1,2,3,4-tetrahydro-2-(3-hydroxypropyl)-6,7,8-trimethoxy-2-methyl-1-(3,4,5-trimethoxybenzyl)isoquinolinium chloride, succinate (2:1)" RELATED [ChEBI:] synonym: "(1R,2S,1'S,2'R)-2,2'-[(1,4-dioxobutane-1,4-diyl)bis(oxypropane-3,1-diyl)]bis[6,7,8-trimethoxy-2-methyl-1-(3,4,5-trimethoxybenzyl)-1,2,3,4-tetrahydroisoquinolinium] dichloride" EXACT IUPAC_NAME [IUPAC:] synonym: "C56H78Cl2N2O16" RELATED FORMULA [ChEBI:] synonym: "[Cl-].[Cl-].COc1cc(C[C@H]2c3c(CC[N@+]2(C)CCCOC(=O)CCC(=O)OCCC[N@+]2(C)CCc4cc(OC)c(OC)c(OC)c4[C@H]2Cc2cc(OC)c(OC)c(OC)c2)cc(OC)c(OC)c3OC)cc(OC)c1OC" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C56H78N2O16.2ClH/c1-57(23-19-37-33-45(65-7)53(69-11)55(71-13)49(37)39(57)27-35-29-41(61-3)51(67-9)42(30-35)62-4)21-15-25-73-47(59)17-18-48(60)74-26-16-22-58(2)24-20-38-34-46(66-8)54(70-12)56(72-14)50(38)40(58)28-36-31-43(63-5)52(68-10)44(32-36)64-6;;/h29-34,39-40H,15-28H2,1-14H3;2*1H/q+2;;/p-2/t39-,40+,57-,58+;;" RELATED InChI [ChEBI:] synonym: "InChIKey=APADFLLAXHIMFU-LGIHQUBZSA-L" RELATED InChIKey [ChEBI:] is_a: CHEBI:23114 is_a: CHEBI:35273 is_a: CHEBI:51307 [Term] id: CHEBI:59821 name: (1R,2S,1'R,2'S)-doxacurium chloride def: "The dichloride salt of (1R,2S,1'R,2'S)-doxacurium." [] synonym: "(1R,2S;1R,2S)-1,2,3,4-tetrahydro-2-(3-hydroxypropyl)-6,7,8-trimethoxy-2-methyl-1-(3,4,5-trimethoxybenzyl)isoquinolinium chloride, succinate (2:1)" RELATED [ChEBI:] synonym: "(1R,2S,1'R,2'S)-[(1,4-dioxobutane-1,4-diyl)bis(oxypropane-3,1-diyl)]bis[6,7,8-trimethoxy-2-methyl-1-(3,4,5-trimethoxybenzyl)-1,2,3,4-tetrahydroisoquinolinium] dichloride" EXACT IUPAC_NAME [IUPAC:] synonym: "C56H78Cl2N2O16" RELATED FORMULA [ChEBI:] synonym: "[Cl-].[Cl-].COc1cc(C[C@@H]2c3c(CC[N@@+]2(C)CCCOC(=O)CCC(=O)OCCC[N@+]2(C)CCc4cc(OC)c(OC)c(OC)c4[C@H]2Cc2cc(OC)c(OC)c(OC)c2)cc(OC)c(OC)c3OC)cc(OC)c1OC" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C56H78N2O16.2ClH/c1-57(23-19-37-33-45(65-7)53(69-11)55(71-13)49(37)39(57)27-35-29-41(61-3)51(67-9)42(30-35)62-4)21-15-25-73-47(59)17-18-48(60)74-26-16-22-58(2)24-20-38-34-46(66-8)54(70-12)56(72-14)50(38)40(58)28-36-31-43(63-5)52(68-10)44(32-36)64-6;;/h29-34,39-40H,15-28H2,1-14H3;2*1H/q+2;;/p-2/t39-,40-,57-,58-;;/m1../s1" RELATED InChI [ChEBI:] synonym: "InChIKey=APADFLLAXHIMFU-QLLVEZNJSA-L" RELATED InChIKey [ChEBI:] is_a: CHEBI:23114 is_a: CHEBI:35273 relationship: is_enantiomer_of CHEBI:59823 is_a: CHEBI:51307 [Term] id: CHEBI:59823 name: (1S,2R,1'S,2'R)-doxacurium chloride def: "The dichloride salt of (1S,2R,1'S,2'R)-doxacurium." [] synonym: "(1S,2R,1'S,2'R)-2,2'-[(1,4-dioxobutane-1,4-diyl)bis(oxypropane-3,1-diyl)]bis[6,7,8-trimethoxy-2-methyl-1-(3,4,5-trimethoxybenzyl)-1,2,3,4-tetrahydroisoquinolinium] dichloride" EXACT IUPAC_NAME [IUPAC:] synonym: "(1S,2R;1S,2R)-1,2,3,4-tetrahydro-2-(3-hydroxypropyl)-6,7,8-trimethoxy-2-methyl-1-(3,4,5-trimethoxybenzyl)isoquinolinium chloride, succinate (2:1)" RELATED [ChEBI:] synonym: "C56H78Cl2N2O16" RELATED FORMULA [ChEBI:] synonym: "[Cl-].[Cl-].COc1cc(C[C@H]2c3c(CC[N@+]2(C)CCCOC(=O)CCC(=O)OCCC[N@@+]2(C)CCc4cc(OC)c(OC)c(OC)c4[C@@H]2Cc2cc(OC)c(OC)c(OC)c2)cc(OC)c(OC)c3OC)cc(OC)c1OC" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C56H78N2O16.2ClH/c1-57(23-19-37-33-45(65-7)53(69-11)55(71-13)49(37)39(57)27-35-29-41(61-3)51(67-9)42(30-35)62-4)21-15-25-73-47(59)17-18-48(60)74-26-16-22-58(2)24-20-38-34-46(66-8)54(70-12)56(72-14)50(38)40(58)28-36-31-43(63-5)52(68-10)44(32-36)64-6;;/h29-34,39-40H,15-28H2,1-14H3;2*1H/q+2;;/p-2/t39-,40-,57-,58-;;/m0../s1" RELATED InChI [ChEBI:] synonym: "InChIKey=APADFLLAXHIMFU-MSZODMFZSA-L" RELATED InChIKey [ChEBI:] is_a: CHEBI:23114 is_a: CHEBI:35273 relationship: is_enantiomer_of CHEBI:59821 is_a: CHEBI:51307 [Term] id: CHEBI:4759 name: edrophonium chloride alt_id: CHEBI:267875 def: "The chloride salt of edrophonium. A reversible inhibitor of cholinesterase with a rapid onset (30-60 seconds after injection) but a short duration of action (5-15 minutes), it is used in myasthenia gravis both diagnostically and to distinguish between under- or over-treatment with other anticholinesterases. It has also been used for the reversal of neuromuscular blockade in anaesthesia, and for the management of poisoning due to tetrodotoxin, a neuromuscular blocking toxin found in puffer fish and other marine animals." [] synonym: "N-ethyl-3-hydroxy-N,N-dimethylanilinium chloride" EXACT IUPAC_NAME [IUPAC:] synonym: "chlorure d'edrophonium" RELATED INN [ChemIDplus:] synonym: "edrophonium chloride" RELATED INN [ChemIDplus:] synonym: "ethyl(m-hydroxyphenyl)dimethylammonium chloride" RELATED [ChemIDplus:] synonym: "cloruro de edrofonio" RELATED INN [ChemIDplus:] synonym: "edrophonii chloridum" RELATED INN [ChemIDplus:] synonym: "N-ethyl-3-hydroxy-N,N-dimethylbenzenaminium chloride" RELATED [ChEBI:] synonym: "(3-hydroxyphenyl)dimethylethylammonium chloride" RELATED [ChEBI:] synonym: "3-hydroxy-N,N-dimethyl-N-ethylanilinium chloride" RELATED [ChEBI:] synonym: "EDROPHONIUM CHLORIDE" EXACT [ChEMBL:] synonym: "C10H16ClNO" RELATED FORMULA [ChEBI:] synonym: "[Cl-].CC[N+](C)(C)c1cccc(O)c1" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C10H15NO.ClH/c1-4-11(2,3)9-6-5-7-10(12)8-9;/h5-8H,4H2,1-3H3;1H" RELATED InChI [ChEBI:] synonym: "InChIKey=BXKDSDJJOVIHMX-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: Patent:US2647924 "Patent" xref: KEGG DRUG:D00994 "KEGG DRUG" xref: Beilstein:3748734 "Beilstein Registry Number" xref: KEGG DRUG:116-38-1 "CAS Registry Number" xref: ChemIDplus:116-38-1 "CAS Registry Number" xref: NIST Chemistry WebBook:116-38-1 "CAS Registry Number" xref: Wikipedia:Edrophonium "Wikipedia" xref: DrugBank:DB01010 "DrugBank" xref: CiteXplore:7488499 "PubMed citation" is_a: CHEBI:35273 is_a: CHEBI:23114 relationship: has_part CHEBI:251408 relationship: has_role CHEBI:37733 relationship: has_role CHEBI:33295 relationship: has_role CHEBI:50247 [Term] id: CHEBI:553542 name: ipratropium chloride alt_id: CHEBI:569423 def: "The chloride salt of ipratropium." [] synonym: "(3-endo,8-syn)-3-[(3-hydroxy-2-phenylpropanoyl)oxy]-8-methyl-8-(propan-2-yl)-8-azoniabicyclo[3.2.1]octane chloride" EXACT IUPAC_NAME [IUPAC:] synonym: "C20H30ClNO3" RELATED FORMULA [ChEBI:] synonym: "[Cl-].[H][C@]12CC[C@]([H])(C[C@@H](C1)OC(=O)C(CO)c1ccccc1)[N@+]2(C)C(C)C" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C20H30NO3.ClH/c1-14(2)21(3)16-9-10-17(21)12-18(11-16)24-20(23)19(13-22)15-7-5-4-6-8-15;/h4-8,14,16-19,22H,9-13H2,1-3H3;1H/q+1;/p-1/t16-,17+,18+,19?,21+;" RELATED InChI [ChEBI:] synonym: "InChIKey=MQIPRYDNKGFOGV-VVQPYUEFSA-M" RELATED InChIKey [ChEBI:] is_a: CHEBI:35273 relationship: has_part CHEBI:5956 is_a: CHEBI:23114 [Term] id: CHEBI:61219 name: succinylcholine chloride (anhydrous) alt_id: CHEBI:9312 def: "A chloride salt in which the negative charge of the chloride ions is balanced by succinylcholine dications." [] synonym: "bis(succinyldichlorocholine)" RELATED [ChemIDplus:] synonym: "chlorure de succinilcoline" RELATED [ChemIDplus:] synonym: "bis(2-dimethylaminoethyl)succinate bis(methochloride)" RELATED [ChemIDplus:] synonym: "cloruro de suxametonio" RELATED INN [ChemIDplus:] synonym: "2-dimethylaminoethyl succinate dimethochloride" RELATED [ChemIDplus:] synonym: "succinylcholine dichloride (anhydrous)" RELATED [ChEBI:] synonym: "Chlorsuccinylcholin" RELATED [ChemIDplus:] synonym: "suxamethonium dichloride" RELATED [ChemIDplus:] synonym: "succinylcholine dichloride" RELATED [ChEBI:] synonym: "succinyldicholine dichloride" RELATED [ChEBI:] synonym: "anhydrous succinylcholine chloride" RELATED [ChEBI:] synonym: "anhydrous succinylcholine dichloride" RELATED [ChEBI:] synonym: "2,2'-[(1,4-dioxobutane-1,4-diyl)bis(oxy)]bis(N,N,N-trimethylethanaminium) dichloride" EXACT IUPAC_NAME [IUPAC:] synonym: "anhydrous suxamethonium chloride" RELATED [ChEBI:] synonym: "suxamethonium chloride" RELATED INN [KEGG DRUG:] synonym: "anhydrous succinyldicholine dichloride" RELATED [ChEBI:] synonym: "succinyldicholine dichloride (anhydrous)" RELATED [ChEBI:] synonym: "suxamethonii chloridum" RELATED INN [ChemIDplus:] synonym: "(2-hydroxyethyl)trimethylammonium chloride succinate" RELATED [ChemIDplus:] synonym: "suxamethonium chloride (anhydrous)" RELATED [ChEBI:] synonym: "C14H30Cl2N2O4" RELATED FORMULA [ChEBI:] synonym: "[Cl-].[Cl-].C[N+](C)(C)CCOC(=O)CCC(=O)OCC[N+](C)(C)C" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C14H30N2O4.2ClH/c1-15(2,3)9-11-19-13(17)7-8-14(18)20-12-10-16(4,5)6;;/h7-12H2,1-6H3;2*1H/q+2;;/p-2" RELATED InChI [ChEBI:] synonym: "InChIKey=YOEWQQVKRJEPAE-UHFFFAOYSA-L" RELATED InChIKey [ChEBI:] xref: KEGG DRUG:71-27-2 "CAS Registry Number" xref: KEGG DRUG:D00766 "KEGG DRUG" xref: Wikipedia:Succinylcholine "Wikipedia" xref: Reaxys:3922827 "Reaxys Registry Number" xref: DrugBank:DB00202 "DrugBank" is_a: CHEBI:23114 relationship: has_part CHEBI:45652 relationship: has_role CHEBI:51371 [Term] id: CHEBI:61225 name: succinylcholine chloride dihydrate def: "A hydrate that is the dihydrate form of succinylcholine chloride." [] synonym: "2,2'-[(1,4-dioxobutane-1,4-diyl)bis(oxy)]bis(N,N,N-trimethylethanaminium) chloride--water (1/2)" EXACT IUPAC_NAME [IUPAC:] synonym: "suxamethonium chloride dihydrate" RELATED [ChEBI:] synonym: "suxamethonium chloride 2H2O" RELATED [ChEBI:] synonym: "succinyldicholine dichloride dihydrate" RELATED [ChEBI:] synonym: "succinylcholine dichloride dihydrate" RELATED [ChEBI:] synonym: "succinylcholine chloride 2H2O" RELATED [ChEBI:] synonym: "C14H34Cl2N2O6" RELATED FORMULA [ChEBI:] synonym: "O.O.[Cl-].[Cl-].C[N+](C)(C)CCOC(=O)CCC(=O)OCC[N+](C)(C)C" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C14H30N2O4.2ClH.2H2O/c1-15(2,3)9-11-19-13(17)7-8-14(18)20-12-10-16(4,5)6;;;;/h7-12H2,1-6H3;2*1H;2*1H2/q+2;;;;/p-2" RELATED InChI [ChEBI:] synonym: "InChIKey=FFSBEIRFVXGRPR-UHFFFAOYSA-L" RELATED InChIKey [ChEBI:] is_a: CHEBI:35505 relationship: has_part CHEBI:61219 relationship: has_role CHEBI:51371 [Term] id: CHEBI:72321 name: (11)C-choline chloride def: "A quaternary ammonium salt that is the chloride salt of (11)C-choline. An intravenous radioactive diagnostic agent used as a tracer during positron emission tomography scans to help detect sites of recurrent prostate cancer." [] synonym: "2-hydroxy-N,N-dimethyl-N-((11)C)methylethanaminium chloride" EXACT IUPAC_NAME [IUPAC:] synonym: "Choline chloride C-11" RELATED [ChemIDplus:] synonym: "[N-methyl-(11)C]choline chloride" RELATED [ChEBI:] synonym: "Choline chloride C11" RELATED [ChemIDplus:] synonym: "C5H14ClNO" RELATED FORMULA [ChEBI:] synonym: "[Cl-].C[N+](C)([11CH3])CCO" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C5H14NO.ClH/c1-6(2,3)4-5-7;/h7H,4-5H2,1-3H3;1H/q+1;/p-1/i1-1;" RELATED InChI [ChEBI:] synonym: "InChIKey=SGMZJAMFUVOLNK-ULWFUOSBSA-M" RELATED InChIKey [ChEBI:] xref: Reaxys:21823810 "Reaxys Registry Number" xref: ChemIDplus:87591-54-6 "CAS Registry Number" is_a: CHEBI:23114 is_a: CHEBI:35273 relationship: has_role CHEBI:35207 relationship: has_role CHEBI:37336 relationship: has_part CHEBI:72322 [Term] id: CHEBI:15858 name: bromide alt_id: CHEBI:3178 alt_id: CHEBI:49515 alt_id: CHEBI:13918 def: "A monoatomic bromine that has formula Br." [] synonym: "bromide" EXACT IUPAC_NAME [IUPAC:] synonym: "Br(-)" RELATED [IUPAC:] synonym: "bromine anion" RELATED [NIST Chemistry WebBook:] synonym: "bromide(1-)" EXACT IUPAC_NAME [IUPAC:] synonym: "bromide" EXACT [UniProt:] synonym: "Bromide" EXACT [KEGG COMPOUND:] synonym: "Br-" RELATED [KEGG COMPOUND:] synonym: "BROMIDE ION" RELATED [PDBeChem:] synonym: "Br" RELATED FORMULA [KEGG COMPOUND:] synonym: "[Br-]" RELATED SMILES [ChEBI:] synonym: "InChI=1S/BrH/h1H/p-1" RELATED InChI [ChEBI:] synonym: "InChIKey=CPELXLSAUQHCOX-UHFFFAOYSA-M" RELATED InChIKey [ChEBI:] xref: Beilstein:3587179 "Beilstein Registry Number" xref: NIST Chemistry WebBook:24959-67-9 "CAS Registry Number" xref: Gmelin:14908 "Gmelin Registry Number" xref: ChemIDplus:24959-67-9 "CAS Registry Number" xref: KEGG COMPOUND:C01324 "KEGG COMPOUND" xref: PDBeChem:BR "PDBeChem" is_a: CHEBI:16042 is_a: CHEBI:36896 relationship: is_conjugate_base_of CHEBI:47266 [Term] id: CHEBI:22925 name: bromide salt synonym: "bromides" RELATED [ChEBI:] synonym: "bromide salts" RELATED [ChEBI:] is_a: CHEBI:22928 is_a: CHEBI:33958 relationship: has_part CHEBI:15858 [Term] id: CHEBI:48369 name: organic bromide salt synonym: "organic bromide salts" RELATED [ChEBI:] is_a: CHEBI:22925 is_a: CHEBI:51069 [Term] id: CHEBI:48367 name: hydrobromide def: "Salts formally resulting from the reaction of hydrobromic acid with an organic base." [] synonym: "hydrobromide salt" RELATED [ChEBI:] synonym: "hydrobromide salts" RELATED [ChEBI:] synonym: "hydrobromide" EXACT [ChEBI:] is_a: CHEBI:48369 [Term] id: CHEBI:3724 name: citalopram hydrobromide def: "A hydrobromide that has formula C20H21FN2O.HBr." [] synonym: "1-(3-(dimethylamino)propyl)-1-(4-fluorophenyl)-1,3-dihydroisobenzofuran-5-carbonitrile monohydrobromide" RELATED [ChemIDplus:] synonym: "1-(3-(dimethylamino)propyl)-1-(p-fluorophenyl)-5-phthalancarbonitrile monohydrobromide" RELATED [ChemIDplus:] synonym: "1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile hydrobromide" RELATED [IUPAC:] synonym: "1-(3-(dimethylamino)propyl)-1-(4-fluorophenyl)-1,3-dihydro-5-isobenzofurancarbonitrile monohydrobromide" RELATED [ChemIDplus:] synonym: "3-[5-cyano-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-1-yl]-N,N-dimethylpropan-1-aminium bromide" EXACT IUPAC_NAME [IUPAC:] synonym: "Celexa" RELATED BRAND_NAME [KEGG DRUG:] synonym: "C20H21FN2O.HBr" RELATED FORMULA [ChEBI:] synonym: "[Br-].[H][N+](C)(C)CCCC1(OCc2cc(ccc12)C#N)c1ccc(F)cc1" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C20H21FN2O.BrH/c1-23(2)11-3-10-20(17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-24-20;/h4-9,12H,3,10-11,14H2,1-2H3;1H" RELATED InChI [ChEBI:] synonym: "InChIKey=WIHMBLDNRMIGDW-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: KEGG DRUG:D00822 "KEGG DRUG" xref: Beilstein:5368282 "Beilstein Registry Number" xref: ChemIDplus:59729-32-7 "CAS Registry Number" is_a: CHEBI:48367 relationship: has_role CHEBI:35469 relationship: has_part CHEBI:3723 [Term] id: CHEBI:53711 name: hexa-L-lysine monohydrobromide def: "A compound comprising six covalently linked L-lysine residues ionically bound to hydrogen bromide." [] synonym: "hexalysine hydrobromide" RELATED [ChEBI:] synonym: "poly-L-lysine hydrobromide (PLL6)" RELATED [ChEBI:] synonym: "L-lysyl-L-lysyl-L-lysyl-L-lysyl-L-lysyl-L-lysine hydrobromide" EXACT IUPAC_NAME [IUPAC:] synonym: "C36H74N12O7.HBr" RELATED FORMULA [ChEBI:] synonym: "C36H75BrN12O7" RELATED FORMULA [ChEBI:] synonym: "[H+].[Br-].NCCCC[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(O)=O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C36H74N12O7.BrH/c37-19-7-1-13-25(43)31(49)44-26(14-2-8-20-38)32(50)45-27(15-3-9-21-39)33(51)46-28(16-4-10-22-40)34(52)47-29(17-5-11-23-41)35(53)48-30(36(54)55)18-6-12-24-42;/h25-30H,1-24,37-43H2,(H,44,49)(H,45,50)(H,46,51)(H,47,52)(H,48,53)(H,54,55);1H/t25-,26-,27-,28-,29-,30-;/m0./s1" RELATED InChI [ChEBI:] synonym: "InChIKey=ARHYOLADMXCVQI-FLQHCAAPSA-N" RELATED InChIKey [ChEBI:] xref: CiteXplore:10930630 "PubMed citation" is_a: CHEBI:48367 is_a: CHEBI:53224 [Term] id: CHEBI:59158 name: poly(L-lysine) hydrobromide def: "The hydrobromide salt of poly(L-lysine)." [] synonym: "Poly-L-lysine hydrobromide" RELATED [NIST Chemistry WebBook:] synonym: "L-Lysine, homopolymer, hydrobromide" RELATED [ChemIDplus:] synonym: "PLL49" RELATED [ChEBI:] synonym: "(C6H14N2O2)n.(BrH)n" RELATED FORMULA [ChEBI:] xref: ChemIDplus:25988-63-0 "CAS Registry Number" xref: NIST Chemistry WebBook:25988-63-0 "CAS Registry Number" xref: CiteXplore:10930630 "PubMed citation" is_a: CHEBI:48367 relationship: has_functional_parent CHEBI:53412 [Term] id: CHEBI:31455 name: darifenacin hydrobromide def: "The hydrobromide salt of darifenacin. A selective antagonist for the M3 muscarinic acetylcholine receptor, which is primarily responsible for bladder muscle contractions, it is used in the management of urinary incontinence." [] synonym: "(S)-2-{1-(2-(2,3-dihydrobenzofuran-5-yl)ethyl)-3-pyrrolidnyl}-2,2-diphenylacetamide hydrobromide" RELATED [ChemIDplus:] synonym: "darifenacin HBr" RELATED [ChEBI:] synonym: "2-{(3S)-1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyrrolidin-3-yl}-2,2-diphenylacetamide hydrobromide" EXACT IUPAC_NAME [IUPAC:] synonym: "Darifenacin hydrobromide" EXACT [KEGG DRUG:] synonym: "C28H31BrN2O2" RELATED FORMULA [ChEBI:] synonym: "Br.[H][C@]1(CCN(CCc2ccc3OCCc3c2)C1)C(C(N)=O)(c1ccccc1)c1ccccc1" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C28H30N2O2.BrH/c29-27(31)28(23-7-3-1-4-8-23,24-9-5-2-6-10-24)25-14-17-30(20-25)16-13-21-11-12-26-22(19-21)15-18-32-26;/h1-12,19,25H,13-18,20H2,(H2,29,31);1H/t25-;/m1./s1" RELATED InChI [ChEBI:] synonym: "InChIKey=UQAVIASOPREUIT-VQIWEWKSSA-N" RELATED InChIKey [ChEBI:] xref: KEGG DRUG:D01699 "KEGG DRUG" xref: DrugBank:DB00496 "DrugBank" xref: Beilstein:10225902 "Beilstein Registry Number" xref: KEGG DRUG:133099-07-7 "CAS Registry Number" xref: ChemIDplus:133099-07-7 "CAS Registry Number" is_a: CHEBI:48367 relationship: has_part CHEBI:391960 relationship: has_role CHEBI:48876 [Term] id: CHEBI:31601 name: fenoterol hydrobromide def: "The hydrobromide salt of fenoterol. A beta2-adrenergic agonist, it is used as a bronchodilator in the management of reversible airway obstruction." [] synonym: "fenoterol HBr" RELATED [ChEBI:] synonym: "5-(1-hydroxy-2-{[1-(4-hydroxyphenyl)propan-2-yl]amino}ethyl)benzene-1,3-diol hydrobromide" EXACT IUPAC_NAME [IUPAC:] synonym: "fenoterol bromide" RELATED [ChemIDplus:] synonym: "phenoterol hydrobromide" RELATED [ChemIDplus:] synonym: "C17H22BrNO4" RELATED FORMULA [ChEBI:] synonym: "Br.CC(Cc1ccc(O)cc1)NCC(O)c1cc(O)cc(O)c1" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C17H21NO4.BrH/c1-11(6-12-2-4-14(19)5-3-12)18-10-17(22)13-7-15(20)9-16(21)8-13;/h2-5,7-9,11,17-22H,6,10H2,1H3;1H" RELATED InChI [ChEBI:] synonym: "InChIKey=SGZRQMALQBXAIQ-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: KEGG DRUG:D01428 "KEGG DRUG" xref: Reaxys:4168199 "Reaxys Registry Number" xref: KEGG DRUG:1944-12-3 "CAS Registry Number" xref: ChemIDplus:1944-12-3 "CAS Registry Number" xref: DrugBank:DB01288 "DrugBank" is_a: CHEBI:48367 relationship: has_part CHEBI:149226 relationship: has_role CHEBI:35523 relationship: has_role CHEBI:35522 relationship: has_role CHEBI:35524 [Term] id: CHEBI:61176 name: eletriptan hydrobromide def: "A hydrobromide that has formula C22H27BrN2O2S." [] synonym: "5-[2-(phenylsulfonyl)ethyl]-3-[(2R)-pyrrolidin-2-ylmethyl]-1H-indole hydrobromide" EXACT IUPAC_NAME [IUPAC:] synonym: "RELPAX" RELATED BRAND_NAME [ChEBI:] synonym: "(R)-3-((1-methyl-2-pyrrolidinyl)methyl)-5-(2-(phenylsulfonyl)ethyl)-1H-indole monohydrobromide" RELATED [ChemIDplus:] synonym: "eletriptan monohydrobromide" RELATED [ChEBI:] synonym: "C22H27BrN2O2S" RELATED FORMULA [ChEBI:] synonym: "Br.CN1CCC[C@@H]1Cc1c[nH]c2ccc(CCS(=O)(=O)c3ccccc3)cc12" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C22H26N2O2S.BrH/c1-24-12-5-6-19(24)15-18-16-23-22-10-9-17(14-21(18)22)11-13-27(25,26)20-7-3-2-4-8-20;/h2-4,7-10,14,16,19,23H,5-6,11-13,15H2,1H3;1H/t19-;/m1./s1" RELATED InChI [ChEBI:] synonym: "InChIKey=UTINOWOSWSPFLJ-FSRHSHDFSA-N" RELATED InChIKey [ChEBI:] xref: KEGG DRUG:D01973 "KEGG DRUG" xref: DrugBank:DB00216 "DrugBank" xref: KEGG DRUG:177834-92-3 "CAS Registry Number" xref: ChemIDplus:177834-92-3 "CAS Registry Number" xref: Reaxys:8459649 "Reaxys Registry Number" is_a: CHEBI:48367 relationship: has_role CHEBI:35941 relationship: has_role CHEBI:50514 relationship: has_role CHEBI:35475 relationship: has_part CHEBI:61177 [Term] id: CHEBI:61271 name: scopolamine hydrobromide (anhydrous) def: "A hydrobromide that is obtained by reaction of scopolamine with hydrogen bromide." [] synonym: "(-)-hyoscine hydrobromide (anhydrous)" RELATED [ChEBI:] synonym: "scopolammonium bromide" RELATED [ChemIDplus:] synonym: "(-)-scopolamine hydrobromide" RELATED [ChemIDplus:] synonym: "scopolaminium bromide (anhydrous)" RELATED [ChEBI:] synonym: "scopolammonium bromide (anhydrous)" RELATED [ChEBI:] synonym: "(-)-hyoscine hydrobromide" RELATED [ChemIDplus:] synonym: "scopolamine bromide (anhydrous)" RELATED [ChEBI:] synonym: "(1R,2R,4S,5S,7S)-9-methyl-3-oxa-9-azatricyclo[3.3.1.0(2,4)]non-7-yl (2S)-3-hydroxy-2-phenylpropanoate hydrobromide" EXACT IUPAC_NAME [IUPAC:] synonym: "scopolamine hydrobromide" RELATED [ChemIDplus:] synonym: "hyoscine bromide" RELATED [ChemIDplus:] synonym: "scopolamine bromide" RELATED [ChemIDplus:] synonym: "hyoscine bromide (anhydrous)" RELATED [ChEBI:] synonym: "(1R,2R,4S,5S,7s,9s)-7-{[(2S)-3-hydroxy-2-phenylpropanoyl]oxy}-9-methyl-3-oxa-9-azoniatricyclo[3.3.1.0(2,4)]nonane bromide" EXACT IUPAC_NAME [IUPAC:] synonym: "(-)-scopolamine bromide" RELATED [ChemIDplus:] synonym: "scopolaminium bromide" RELATED [ChemIDplus:] synonym: "(-)-scopolamine bromide (anhydrous)" RELATED [ChEBI:] synonym: "(-)-scopolamine hydrobromide (anhydrous)" RELATED [ChEBI:] synonym: "C17H22BrNO4" RELATED FORMULA [ChEBI:] synonym: "Br.CN1[C@H]2C[C@@H](C[C@@H]1[C@H]1O[C@@H]21)OC(=O)[C@H](CO)c1ccccc1" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C17H21NO4.BrH/c1-18-13-7-11(8-14(18)16-15(13)22-16)21-17(20)12(9-19)10-5-3-2-4-6-10;/h2-6,11-16,19H,7-9H2,1H3;1H/t11-,12-,13-,14+,15-,16+;/m1./s1" RELATED InChI [ChEBI:] synonym: "InChIKey=WTGQALLALWYDJH-MOUKNHLCSA-N" RELATED InChIKey [ChEBI:] xref: NIST Chemistry WebBook:114-49-8 "CAS Registry Number" xref: ChemIDplus:114-49-8 "CAS Registry Number" xref: DrugBank:DB00747 "DrugBank" xref: Reaxys:4341992 "Reaxys Registry Number" is_a: CHEBI:48367 relationship: has_part CHEBI:61269 relationship: has_role CHEBI:48876 [Term] id: CHEBI:61272 name: scopolamine hydrobromide trihydrate def: "A hydrate that is the trihydrate form of scopolamine hydrobromide." [] synonym: "(1R,2R,4S,5S,7s,9s)-7-{[(2S)-3-hydroxy-2-phenylpropanoyl]oxy}-9-methyl-3-oxa-9-azoniatricyclo[3.3.1.0(2,4)]nonane bromide--water (1/3)" EXACT IUPAC_NAME [IUPAC:] synonym: "Hysco" RELATED BRAND_NAME [KEGG DRUG:] synonym: "(1R,2R,4S,5S,7s)-9-methyl-3-oxa-9-azatricyclo[3.3.1.0(2,4)]non-7-yl (2S)-3-hydroxy-2-phenylpropanoate hydrobromide--water (1/3)" EXACT IUPAC_NAME [IUPAC:] synonym: "scopolamine hydrobromide" RELATED [ChemIDplus:] synonym: "hyoscine hydrobromide trihydrate" RELATED [ChemIDplus:] synonym: "Isopto hyoscine" RELATED BRAND_NAME [KEGG DRUG:] synonym: "scopolammonium bromide trihydrate" RELATED [ChEBI:] synonym: "(-)-scopolamine hydrobromide trihydrate" RELATED [ChemIDplus:] synonym: "scopolaminium bromide trihydrate" RELATED [ChEBI:] synonym: "C17H28BrNO7" RELATED FORMULA [ChEBI:] synonym: "O.O.O.Br.CN1[C@H]2C[C@@H](C[C@@H]1[C@H]1O[C@@H]21)OC(=O)[C@H](CO)c1ccccc1" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C17H21NO4.BrH.3H2O/c1-18-13-7-11(8-14(18)16-15(13)22-16)21-17(20)12(9-19)10-5-3-2-4-6-10;;;;/h2-6,11-16,19H,7-9H2,1H3;1H;3*1H2/t11-,12-,13-,14+,15-,16+;;;;/m1..../s1" RELATED InChI [ChEBI:] synonym: "InChIKey=LACQPOBCQQPVIT-SEYKEWMNSA-N" RELATED InChIKey [ChEBI:] xref: KEGG DRUG:6533-68-2 "CAS Registry Number" xref: KEGG DRUG:D02071 "KEGG DRUG" xref: DrugBank:DB00747 "DrugBank" xref: ChemIDplus:6533-68-2 "CAS Registry Number" is_a: CHEBI:35505 relationship: has_part CHEBI:61271 relationship: has_role CHEBI:50513 relationship: has_role CHEBI:48876 relationship: has_role CHEBI:60807 relationship: has_role CHEBI:53784 relationship: has_role CHEBI:50919 [Term] id: CHEBI:63978 name: N-allyl-1-phenyl-2,3,4,5-tetrahydro-3-benzazepine-7,8-diol hydrobromide def: "A hydrobromide salt prepared from N-allyl-1-phenyl-2,3,4,5-tetrahydro-3-benzazepine-7,8-diol and one equivalent of hydrogen bromide. Selective dopamine D1-like receptor partial agonist (IC50 values are 19.7 and 2425 nM for binding to D1-like and D2-like receptors respectively). Centrally active following systemic administration in vivo." [] synonym: "1-phenyl-3-(prop-2-en-1-yl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol hydrobromide" EXACT IUPAC_NAME [IUPAC:] synonym: "N-allyl-7,8-dihydroxy-1-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine hydrobromide" RELATED [ChEBI:] synonym: "3-allyl-1-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol hydrobromide" RELATED [IUPAC:] synonym: "3-allyl-7,8-dihydroxy-1-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepinium bromide" RELATED [IUPAC:] synonym: "SKF 77434 hydrobromide" RELATED [ChEBI:] synonym: "C19H22BrNO2" RELATED FORMULA [ChEBI:] synonym: "Br.Oc1cc2CCN(CC=C)CC(c3ccccc3)c2cc1O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C19H21NO2.BrH/c1-2-9-20-10-8-15-11-18(21)19(22)12-16(15)17(13-20)14-6-4-3-5-7-14;/h2-7,11-12,17,21-22H,1,8-10,13H2;1H" RELATED InChI [ChEBI:] synonym: "InChIKey=JWQRAXTWDYUBFI-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: Reaxys:8658505 "Reaxys Registry Number" is_a: CHEBI:48367 relationship: has_role CHEBI:51065 relationship: has_part CHEBI:63987 relationship: has_role CHEBI:50266 [Term] id: CHEBI:63996 name: N-methyl-6-chloro-1-(3-methylphenyl)-2,3,4,5-tetrahydro-3-benzazepine-7,8-diol hydrobromide def: "A hydrobromide salt prepared from N-methyl-6-chloro-1-(3-methylphenyl)-2,3,4,5-tetrahydro-3-benzazepine-7,8-diol and one equivalent of hydrogen bromide. Dopamine D1-like receptor partial agonist (Ki values are 1.18, 7.56, 920 and 399 nM for rat D1, D5, D2 and D3 receptors respectively). May act as an antagonist in vivo, producing anti-Parkinsonian effects and antagonising the behavioral effects of cocaine." [] synonym: "6-chloro-3-methyl-1-(3-methylphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol hydrobromide" EXACT IUPAC_NAME [IUPAC:] synonym: "SKF 83959 hydrobromide" RELATED [ChEBI:] synonym: "6-chloro-7,8-dihydroxy-3-methyl-1-(3-methylphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine hydrobromide" RELATED [ChEBI:] synonym: "6-chloro-7,8-dihydroxy-3-methyl-1-(3-methylphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepinium bromide" RELATED [IUPAC:] synonym: "C18H21BrClNO2" RELATED FORMULA [ChEBI:] synonym: "Br.CN1CCc2c(cc(O)c(O)c2Cl)C(C1)c1cccc(C)c1" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C18H20ClNO2.BrH/c1-11-4-3-5-12(8-11)15-10-20(2)7-6-13-14(15)9-16(21)18(22)17(13)19;/h3-5,8-9,15,21-22H,6-7,10H2,1-2H3;1H" RELATED InChI [ChEBI:] synonym: "InChIKey=FHYWNBUFNGHNCP-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: Reaxys:5196089 "Reaxys Registry Number" is_a: CHEBI:48367 relationship: has_role CHEBI:51065 relationship: has_role CHEBI:50266 relationship: has_part CHEBI:64000 [Term] id: CHEBI:64002 name: N-allyl-6-chloro-1-(3-methylphenyl)-2,3,4,5-tetrahydro-3-benzazepine-7,8-diol hydrobromide def: "A hydrobromide salt prepared from N-allyl-6-chloro-1-(3-methylphenyl)-2,3,4,5-tetrahydro-3-benzazepine-7,8-diol and one equivalent of hydrogen bromide. High affinity, selective dopamine D1-like receptor agonist. Ki values are 3.2, 3.1, 186, 66, 335, 1167, 1251 and 1385 nM at recombinant D1, D5, D2, D3, D4, 5-HT2A, alpha1A and alpha1B receptors respectively. Stimulates adenylyl cyclase (EC50 = 65 nM) but not phosphoinositide hydrolysis. Induces extreme arousal and hyperlocomotion following subcutaneous administration in monkeys." [] synonym: "SKF 83822 hydrobromide" RELATED [ChEBI:] synonym: "3-allyl-6-chloro-7,8-dihydroxy-1-(3-methylphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepinium bromide" RELATED [IUPAC:] synonym: "6-chloro-1-(3-methylphenyl)-3-(prop-2-en-1-yl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol hydrobromide" EXACT IUPAC_NAME [IUPAC:] synonym: "3-allyl-6-chloro-1-(3-methylphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol hydrobromide" RELATED [IUPAC:] synonym: "6-chloro-7,8-dihydroxy-1-(3-methylphenyl)-3-(prop-2-en-1-yl)-2,3,4,5-tetrahydro-1H-3-benzazepinium bromide" RELATED [IUPAC:] synonym: "C20H23BrClNO2" RELATED FORMULA [ChEBI:] synonym: "Br.Cc1cccc(c1)C1CN(CCc2c1cc(O)c(O)c2Cl)CC=C" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C20H22ClNO2.BrH/c1-3-8-22-9-7-15-16(11-18(23)20(24)19(15)21)17(12-22)14-6-4-5-13(2)10-14;/h3-6,10-11,17,23-24H,1,7-9,12H2,2H3;1H" RELATED InChI [ChEBI:] synonym: "InChIKey=CFWPKYBBXBANLU-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: Reaxys:5198936 "Reaxys Registry Number" is_a: CHEBI:48367 relationship: has_role CHEBI:51065 relationship: has_role CHEBI:50266 relationship: has_part CHEBI:64003 [Term] id: CHEBI:64123 name: NAN 190 hydrobromide def: "A hydrobromide obtained by reaction of NAN 190 with one equivalent of hydrobromic acid." [] synonym: "1-[4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butyl]-4-(2-methoxyphenyl)piperazin-1-ium bromide" RELATED [IUPAC:] synonym: "Nan 190" RELATED [ChemIDplus:] synonym: "1-(2-Methoxyphenyl)-4-(4-(2-phthalimido)butyl)piperazine hydrobromide" RELATED [ChemIDplus:] synonym: "NAN190 hydrobromide" RELATED [ChEBI:] synonym: "2-{4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl}-1H-isoindole-1,3(2H)-dione hydrobromide" EXACT IUPAC_NAME [IUPAC:] synonym: "C23H28BrN3O3" RELATED FORMULA [ChEBI:] synonym: "Br.COc1ccccc1N1CCN(CCCCN2C(=O)c3ccccc3C2=O)CC1" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C23H27N3O3.BrH/c1-29-21-11-5-4-10-20(21)25-16-14-24(15-17-25)12-6-7-13-26-22(27)18-8-2-3-9-19(18)23(26)28;/h2-5,8-11H,6-7,12-17H2,1H3;1H" RELATED InChI [ChEBI:] synonym: "InChIKey=AXRUEPFPTQYHQD-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: ChemIDplus:115338-32-4 "CAS Registry Number" xref: Reaxys:4775818 "Reaxys Registry Number" is_a: CHEBI:48367 relationship: has_role CHEBI:48279 relationship: has_part CHEBI:64132 [Term] id: CHEBI:64151 name: imetit dihydrobromide def: "A hydrobromide salt obtained by reaction of imetit with two equivalents of hydrobromic acid. An extremely potent, high affinity agonist at H3 and H4 receptors (Ki values are 0.3 and 2.7 nM respectively). Induces shape change in eosinophils with an EC50 of 25 nM. Centrally active following systemic administration." [] synonym: "imetit hydrobromide" RELATED [ChEBI:] synonym: "S-{2-[1H-imidazol-4-yl]ethyl}isothiourea dihydrobromide" RELATED [ChEBI:] synonym: "2-(1H-imidazol-4-yl)ethyl carbamimidothioate dihydrobromide" EXACT IUPAC_NAME [IUPAC:] synonym: "C6H12Br2N4S" RELATED FORMULA [ChEBI:] synonym: "Br.Br.NC(=N)SCCc1c[nH]cn1" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C6H10N4S.2BrH/c7-6(8)11-2-1-5-3-9-4-10-5;;/h3-4H,1-2H2,(H3,7,8)(H,9,10);2*1H" RELATED InChI [ChEBI:] synonym: "InChIKey=DOBOYMKCRRLTRF-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: Reaxys:5833853 "Reaxys Registry Number" xref: Reaxys:32385-58-3 "CAS Registry Number" is_a: CHEBI:48367 relationship: has_role CHEBI:64155 relationship: has_role CHEBI:64154 relationship: has_part CHEBI:64157 [Term] id: CHEBI:64165 name: clobenpropit dihydrobromide def: "A hydrobromide salt obtained by reaction of clobenpropit with two equivalents of hydrobromic acid. An extremely potent histamine H3 antagonist/inverse agonist (pA2 = 9.93). Also displays partial agonist activity at H4 receptors; induces eosinophil shape change with an EC50 of 3 nM." [] synonym: "3-(1H-imidazol-4-yl)propyl N-(4-chlorobenzyl)carbamimidothioate dihydrobromide" EXACT IUPAC_NAME [IUPAC:] synonym: "clobenpropit hydrobromide" RELATED [ChEBI:] synonym: "C14H19Br2ClN4S" RELATED FORMULA [ChEBI:] synonym: "Br.Br.Clc1ccc(CNC(=N)SCCCc2c[nH]cn2)cc1" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C14H17ClN4S.2BrH/c15-12-5-3-11(4-6-12)8-18-14(16)20-7-1-2-13-9-17-10-19-13;;/h3-6,9-10H,1-2,7-8H2,(H2,16,18)(H,17,19);2*1H" RELATED InChI [ChEBI:] synonym: "InChIKey=JIJQPEZAVLJZBO-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: Reaxys:584034 "Reaxys Registry Number" xref: Reaxys:145231-35-2 "CAS Registry Number" is_a: CHEBI:48367 relationship: has_role CHEBI:64155 relationship: has_role CHEBI:64176 relationship: has_part CHEBI:64193 [Term] id: CHEBI:66004 name: 6-bromoharmine hydrobromide def: "A hydrobromide salt prepared from 6-bromoharmine and 1 equivalent of hydrogen bromide. It is semisynthetic derivative of harmine and has been shown to exhibit significant anti-HIV activity." [] synonym: "6-bromo-7-methoxy-1-methyl-9H-beta-carboline hydrobromide" EXACT IUPAC_NAME [IUPAC:] synonym: "6-bromo-7-methoxy-1-methyl-9H-beta-carbolin-2-ium bromide" RELATED [IUPAC:] synonym: "C13H12Br2N2O" RELATED FORMULA [ChEBI:] synonym: "Br.COc1cc2[nH]c3c(C)nccc3c2cc1Br" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C13H11BrN2O.BrH/c1-7-13-8(3-4-15-7)9-5-10(14)12(17-2)6-11(9)16-13;/h3-6,16H,1-2H3;1H" RELATED InChI [ChEBI:] synonym: "InChIKey=OUZVKKUEJRMKAX-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: Chemspider:23196783 "Chemspider" xref: CiteXplore:11473435 "PubMed citation" xref: Reaxys:8516571 "Reaxys Registry Number" is_a: CHEBI:48367 relationship: has_part CHEBI:72480 [Term] id: CHEBI:4883 name: ethidium bromide def: "An organic bromide salt that has formula C21H20BrN3." [] synonym: "Homidium bromide" RELATED [KEGG COMPOUND:] synonym: "Ethidium bromide" EXACT [KEGG COMPOUND:] synonym: "Dromilac" RELATED [ChemIDplus:] synonym: "3,8-diamino-5-ethyl-6-phenylphenanthridinium bromide" EXACT IUPAC_NAME [IUPAC:] synonym: "EtBr" RELATED [ChEBI:] synonym: "2,7-diamino-9-phenyl-10-ethylphenanthridinium bromide" RELATED [ChemIDplus:] synonym: "2,7-diamino-10-ethyl-9-phenylphenanthridinium bromide" RELATED [ChemIDplus:] synonym: "C21H20BrN3" RELATED FORMULA [ChEBI:] synonym: "C21H20N3.Br" RELATED FORMULA [KEGG COMPOUND:] synonym: "[Br-].CC[n+]1c(-c2ccccc2)c2cc(N)ccc2c2ccc(N)cc12" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C21H19N3.BrH/c1-2-24-20-13-16(23)9-11-18(20)17-10-8-15(22)12-19(17)21(24)14-6-4-3-5-7-14;/h3-13,23H,2,22H2,1H3;1H" RELATED InChI [ChEBI:] synonym: "InChIKey=ZMMJGEGLRURXTF-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: KEGG COMPOUND:1239-45-8 "CAS Registry Number" xref: Beilstein:3642536 "Beilstein Registry Number" xref: ChemIDplus:1239-45-8 "CAS Registry Number" xref: KEGG COMPOUND:C11161 "KEGG COMPOUND" relationship: has_part CHEBI:42478 relationship: has_role CHEBI:36335 is_a: CHEBI:48369 [Term] id: CHEBI:38005 name: 1,1'-diethyl-2,2'-cyanine bromide def: "A 1,1'-diethyl-2,2'-cyanine halide that has formula C23H23BrN2." [] synonym: "1-ethyl-2-{[1-ethylquinolin-2(1H)-ylidene]methyl}quinolinium bromide" EXACT IUPAC_NAME [IUPAC:] synonym: "C23H23BrN2" RELATED FORMULA [ChEBI:] synonym: "[Br-].[H]C(=C1C=Cc2ccccc2N1CC)c1ccc2ccccc2[n+]1CC" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C23H23N2.BrH/c1-3-24-20(15-13-18-9-5-7-11-22(18)24)17-21-16-14-19-10-6-8-12-23(19)25(21)4-2;/h5-17H,3-4H2,1-2H3;1H/q+1;/p-1" RELATED InChI [ChEBI:] synonym: "InChIKey=SIYJHYMECSCDCR-UHFFFAOYSA-M" RELATED InChIKey [ChEBI:] xref: ChemIDplus:1613-31-6 "CAS Registry Number" xref: Beilstein:4116631 "Beilstein Registry Number" is_a: CHEBI:38003 is_a: CHEBI:48369 [Term] id: CHEBI:15797 name: 1-(4-amino-2-methylpyrimidin-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium bromide alt_id: CHEBI:18962 alt_id: CHEBI:11188 alt_id: CHEBI:568 def: "A pyridinium salt that is 1-(4-amino-2-methylpyrimidin-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium having bromide as the counterion." [] synonym: "1-(4-amino-2-methylpyrimidin-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium bromide" EXACT [UniProt:] synonym: "Pyrithiamine" RELATED [KEGG COMPOUND:] synonym: "1-[(4-amino-2-methylpyrimidin-5-yl)methyl]-3-(2-hydroxyethyl)-2-methylpyridinium bromide" EXACT IUPAC_NAME [IUPAC:] synonym: "1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide" RELATED [KEGG COMPOUND:] synonym: "C14H19BrN4O" RELATED FORMULA [ChEBI:] synonym: "C14H19N4O.Br" RELATED FORMULA [KEGG COMPOUND:] synonym: "[Br-].Cc1ncc(C[n+]2cccc(CCO)c2C)c(N)n1" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C14H19N4O.BrH/c1-10-12(5-7-19)4-3-6-18(10)9-13-8-16-11(2)17-14(13)15;/h3-4,6,8,19H,5,7,9H2,1-2H3,(H2,15,16,17);1H/q+1;/p-1" RELATED InChI [ChEBI:] synonym: "InChIKey=GUWSQVZFXHIGLN-UHFFFAOYSA-M" RELATED InChIKey [ChEBI:] xref: Reaxys:21133376 "Reaxys Registry Number" xref: Reaxys:616-92-2 "CAS Registry Number" xref: CiteXplore:20567953 "PubMed citation" xref: KEGG COMPOUND:C04905 "KEGG COMPOUND" is_a: CHEBI:38188 is_a: CHEBI:48369 relationship: has_part CHEBI:72290 [Term] id: CHEBI:16986 name: 1-(4-hydroxy-2-methylpyrimidin-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium bromide alt_id: CHEBI:569 alt_id: CHEBI:18963 alt_id: CHEBI:11189 def: "A pyridinium salt that has formula C14H18N3O2.Br." [] synonym: "1-(4-hydroxy-2-methylpyrimidin-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium bromide" EXACT [UniProt:] synonym: "3-(2-hydroxyethyl)-1-[(4-hydroxy-2-methylpyrimidin-5-yl)methyl]-2-methylpyridinium bromide" EXACT IUPAC_NAME [IUPAC:] synonym: "1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide" RELATED [KEGG COMPOUND:] synonym: "1-(4-hydroxy-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide" RELATED [ChEBI:] synonym: "C14H18N3O2.Br" RELATED FORMULA [KEGG COMPOUND:] synonym: "[Br-].Cc1ncc(C[n+]2cccc(CCO)c2C)c(O)n1" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C14H17N3O2.BrH/c1-10-12(5-7-18)4-3-6-17(10)9-13-8-15-11(2)16-14(13)19;/h3-4,6,8,18H,5,7,9H2,1-2H3;1H" RELATED InChI [ChEBI:] synonym: "InChIKey=BLLOMHPIZIGHBI-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: KEGG COMPOUND:C04908 "KEGG COMPOUND" is_a: CHEBI:38188 is_a: CHEBI:38340 is_a: CHEBI:48369 relationship: has_part CHEBI:57975 [Term] id: CHEBI:46659 name: ipratropium bromide def: "The anhydrous form of the bromide salt of ipratropium. An anticholinergic drug, ipratropium bromide blocks the muscarinic cholinergic receptors in the smooth muscles of the bronchi in the lungs. This opens the bronchi, so providing relief in chronic obstructive pulmonary disease and acute asthma." [] synonym: "Ipratropiumbromid" RELATED [ChemIDplus:] synonym: "ipratropium bromide anhydrous" RELATED [ChemIDplus:] synonym: "N-isopropylnoratropinium bromomethylate" RELATED [ChemIDplus:] synonym: "ipratropium bromide (anhydrous)" RELATED [ChEBI:] synonym: "3alpha-hydroxy-8-isopropyl-1alphaH,5alphaH-tropanium bromide (+-)-tropate" RELATED [ChEBI:] synonym: "ipratropium bromide" RELATED INN [ChemIDplus:] synonym: "bromuro de ipratropio" RELATED INN [ChemIDplus:] synonym: "8-isopropylnoratropine methobromide" RELATED [ChemIDplus:] synonym: "(endo,syn)-(+-)-3-(3-hydroxy-1-oxo-2-phenylpropoxy)-8-methyl-8-(1-methylethyl)-8-azoniabicyclo[3.2.1]octane bromide" RELATED [ChEBI:] synonym: "(3-endo,8-syn)-3-[(3-hydroxy-2-phenylpropanoyl)oxy]-8-isopropyl-8-methyl-8-azoniabicyclo[3.2.1]octane bromide" EXACT IUPAC_NAME [IUPAC:] synonym: "bromure d'ipratropium" RELATED INN [ChemIDplus:] synonym: "ipratropii bromidum" RELATED INN [ChemIDplus:] synonym: "C20H30BrNO3" RELATED FORMULA [ChEBI:] synonym: "[Br-].[H][C@]12CC[C@]([H])(C[C@@H](C1)OC(=O)C(CO)c1ccccc1)[N@+]2(C)C(C)C" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C20H30NO3.BrH/c1-14(2)21(3)16-9-10-17(21)12-18(11-16)24-20(23)19(13-22)15-7-5-4-6-8-15;/h4-8,14,16-19,22H,9-13H2,1-3H3;1H/q+1;/p-1/t16-,17+,18+,19?,21+;" RELATED InChI [ChEBI:] synonym: "InChIKey=LHLMOSXCXGLMMN-VVQPYUEFSA-M" RELATED InChIKey [ChEBI:] xref: Beilstein:10404264 "Beilstein Registry Number" xref: Patent:US3505337 "Patent" xref: DrugBank:DB00332 "DrugBank" xref: ChemIDplus:22254-24-6 "CAS Registry Number" relationship: has_part CHEBI:5956 is_a: CHEBI:48369 relationship: has_role CHEBI:35523 relationship: has_role CHEBI:48876 relationship: has_role CHEBI:53784 [Term] id: CHEBI:5957 name: ipratropium bromide hydrate def: "The monohydrate form of ipratropium bromide. An anticholinergic drug, ipratropium bromide blocks the muscarinic cholinergic receptors in the smooth muscles of the bronchi in the lungs. This opens the bronchi, so providing relief in chronic obstructive pulmonary disease and acute asthma." [] synonym: "(3-endo,8-syn)-3-[(3-hydroxy-2-phenylpropanoyl)oxy]-8-isopropyl-8-methyl-8-azoniabicyclo[3.2.1]octane bromide--water (1/1)" EXACT IUPAC_NAME [IUPAC:] synonym: "ipratropium bromide monohydrate" RELATED [ChEBI:] synonym: "ipratropium bromide hydrate" EXACT [ChemIDplus:] synonym: "ipratropium bromide" RELATED [ChemIDplus:] synonym: "C20H30NO3.H2O.Br" RELATED FORMULA [KEGG DRUG:] synonym: "C20H32BrNO4" RELATED FORMULA [ChEBI:] synonym: "[Br-].[H]O[H].[H][C@]12CC[C@]([H])(C[C@@H](C1)OC(=O)C(CO)c1ccccc1)[N@+]2(C)C(C)C" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C20H30NO3.BrH.H2O/c1-14(2)21(3)16-9-10-17(21)12-18(11-16)24-20(23)19(13-22)15-7-5-4-6-8-15;;/h4-8,14,16-19,22H,9-13H2,1-3H3;1H;1H2/q+1;;/p-1/t16-,17+,18+,19?,21+;;" RELATED InChI [ChEBI:] synonym: "InChIKey=KEWHKYJURDBRMN-ZEODDXGYSA-M" RELATED InChIKey [ChEBI:] xref: KEGG DRUG:D02212 "KEGG DRUG" xref: ChemIDplus:66985-17-9 "CAS Registry Number" xref: DrugBank:DB00332 "DrugBank" is_a: CHEBI:35505 relationship: has_part CHEBI:46659 relationship: has_role CHEBI:48876 relationship: has_role CHEBI:35523 [Term] id: CHEBI:50373 name: homatropine methylbromide def: "An organic bromide salt that has formula C17H24NO3.Br." [] synonym: "8-Methylhomatropinium bromide" RELATED [ChemIDplus:] synonym: "homatropine methylbromide" RELATED INN [WHO MedNet:] synonym: "Methylhomatropine bromide" RELATED [ChemIDplus:] synonym: "Tropinium methobromide mandelate" RELATED [ChemIDplus:] synonym: "metilbromuro de homatropina" RELATED INN [WHO MedNet:] synonym: "3-alpha-Hydroxy-8-methyl-1-alpha-H,5-alpha-H-tropanium bromide mandelate" RELATED [ChemIDplus:] synonym: "3-[2-hydroxy(phenyl)acetoxy]-8,8-dimethyl-8-azoniabicyclo[3.2.1]octane bromide" EXACT IUPAC_NAME [IUPAC:] synonym: "Methylhomatropinum bromatum" RELATED [ChemIDplus:] synonym: "Omatropina metilbromuro" RELATED [ChemIDplus:] synonym: "methylbromure d'homatropine" RELATED INN [WHO MedNet:] synonym: "homatropini methylbromidum" RELATED INN [WHO MedNet:] synonym: "C17H24NO3.Br" RELATED FORMULA [KEGG DRUG:] synonym: "[Br-].C[N+]1(C)C2CCC1CC(C2)OC(=O)C(O)c1ccccc1" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C17H24NO3.BrH/c1-18(2)13-8-9-14(18)11-15(10-13)21-17(20)16(19)12-6-4-3-5-7-12;/h3-7,13-16,19H,8-11H2,1-2H3;1H/q+1;/p-1" RELATED InChI [ChEBI:] synonym: "InChIKey=FUFVKLQESJNNAN-UHFFFAOYSA-M" RELATED InChIKey [ChEBI:] xref: DrugBank:DB00725 "DrugBank" xref: ChemIDplus:80-49-9 "CAS Registry Number" xref: Beilstein:3923192 "Beilstein Registry Number" xref: KEGG DRUG:D02070 "KEGG DRUG" is_a: CHEBI:48369 is_a: CHEBI:38295 relationship: has_role CHEBI:48876 relationship: has_role CHEBI:49201 relationship: has_role CHEBI:53784 [Term] id: CHEBI:9702 name: tridihexethyl bromide def: "An organic bromide salt that has formula C21H36NO.Br." [] synonym: "Tridihexethyl bromide" EXACT [KEGG COMPOUND:] synonym: "3-cyclohexyl-N,N,N-triethyl-3-hydroxy-3-phenylpropan-1-aminium bromide" EXACT IUPAC_NAME [IUPAC:] synonym: "C21H36NO.Br" RELATED FORMULA [KEGG COMPOUND:] synonym: "[Br-].CC[N+](CC)(CC)CCC(O)(C1CCCCC1)c1ccccc1" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C21H36NO.BrH/c1-4-22(5-2,6-3)18-17-21(23,19-13-9-7-10-14-19)20-15-11-8-12-16-20;/h7,9-10,13-14,20,23H,4-6,8,11-12,15-18H2,1-3H3;1H/q+1;/p-1" RELATED InChI [ChEBI:] synonym: "InChIKey=NXKAZKHSCKBZCB-UHFFFAOYSA-M" RELATED InChIKey [ChEBI:] xref: KEGG COMPOUND:C11761 "KEGG COMPOUND" xref: DrugBank:DB00505 "DrugBank" xref: Beilstein:3804036 "Beilstein Registry Number" is_a: CHEBI:48369 relationship: has_part CHEBI:9701 [Term] id: CHEBI:2739 name: anisotropine methylbromide def: "An azabicycloalkane that has formula C17H32NO2.Br." [] synonym: "Anisotropine methylbromide" EXACT [KEGG COMPOUND:] synonym: "metilbromuro de octatropina" RELATED INN [WHO MedNet:] synonym: "Methyloctatropine bromide" RELATED [KEGG COMPOUND:] synonym: "octatropine methylbromide" RELATED INN [WHO MedNet:] synonym: "8-Methyl-3-(2-propylpentanoyloxy)tropinium bromide" RELATED [ChemIDplus:] synonym: "methylbromure d'octatropine" RELATED INN [WHO MedNet:] synonym: "8,8-dimethyl-3-[(2-propylpentanoyl)oxy]-8-azoniabicyclo[3.2.1]octane bromide" EXACT IUPAC_NAME [IUPAC:] synonym: "octatropini methylbromidum" RELATED INN [WHO MedNet:] synonym: "Anisotropine methobromide" RELATED [ChemIDplus:] synonym: "endo-8,8-Dimethyl-3-((1-oxo-2-propylpentyl)oxy)-8-azoniabicyclo(3.2.1)octane bromide" RELATED [ChEBI:] synonym: "8-Methyltropinium bromide 2-propylpentanoate" RELATED [ChemIDplus:] synonym: "8-Methyltropinium bromide 2-propylvalerate" RELATED [ChemIDplus:] synonym: "C17H32NO2.Br" RELATED FORMULA [KEGG COMPOUND:] synonym: "[Br-].CCCC(CCC)C(=O)OC1CC2CCC(C1)[N+]2(C)C" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C17H32NO2.BrH/c1-5-7-13(8-6-2)17(19)20-16-11-14-9-10-15(12-16)18(14,3)4;/h13-16H,5-12H2,1-4H3;1H/q+1;/p-1" RELATED InChI [ChEBI:] synonym: "InChIKey=QSFKGMJOKUZAJM-UHFFFAOYSA-M" RELATED InChIKey [ChEBI:] xref: Beilstein:4059741 "Beilstein Registry Number" xref: DrugBank:DB00517 "DrugBank" xref: ChemIDplus:80-50-2 "CAS Registry Number" xref: KEGG COMPOUND:C06830 "KEGG COMPOUND" xref: KEGG DRUG:D00232 "KEGG DRUG" xref: Patent:US2962499 "Patent" is_a: CHEBI:38295 is_a: CHEBI:48369 relationship: has_role CHEBI:49201 relationship: has_role CHEBI:48876 relationship: has_role CHEBI:50370 [Term] id: CHEBI:51993 name: tetrabutylammonium bromide def: "A tetrabutylammonium salt that has formula C16H36BrN." [] synonym: "tetra-N-butylammonium bromide" RELATED [NIST Chemistry WebBook:] synonym: "TBAB" RELATED [NIST Chemistry WebBook:] synonym: "N,N,N-tributylbutan-1-aminium bromide" EXACT IUPAC_NAME [IUPAC:] synonym: "N,N,N-tributyl-1-butanaminium bromide" RELATED [NIST Chemistry WebBook:] synonym: "C16H36BrN" RELATED FORMULA [ChEBI:] synonym: "[Br-].CCCC[N+](CCCC)(CCCC)CCCC" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C16H36N.BrH/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;/h5-16H2,1-4H3;1H/q+1;/p-1" RELATED InChI [ChEBI:] synonym: "InChIKey=JRMUNVKIHCOMHV-UHFFFAOYSA-M" RELATED InChIKey [ChEBI:] xref: NIST Chemistry WebBook:1643-19-2 "CAS Registry Number" xref: Beilstein:15077 "Gmelin Registry Number" xref: Beilstein:3570983 "Beilstein Registry Number" is_a: CHEBI:48369 is_a: CHEBI:51992 [Term] id: CHEBI:52077 name: FM 1-43 dye def: "A pyridinium salt that has formula C30H49Br2N3." [] synonym: "4-[2-[4-(dibutylamino)phenyl]ethenyl]-1-[3-(triethylammonio)propyl]-pyridiniumbromide" RELATED [ChEBI:] synonym: "FM1-43" RELATED [ChemIDplus:] synonym: "4-{2-[4-(dibutylamino)phenyl]ethenyl}-1-[3-(triethylammonio)propyl]pyridinium dibromide" EXACT IUPAC_NAME [IUPAC:] synonym: "N-(3-(triethylammonium)propyl)-4-(4-(dibutylamino)styryl)pyridinium" RELATED [ChemIDplus:] synonym: "C30H49Br2N3" RELATED FORMULA [ChEBI:] synonym: "[Br-].[Br-].[H]C(=Cc1cc[n+](CCC[N+](CC)(CC)CC)cc1)c1ccc(cc1)N(CCCC)CCCC" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C30H49N3.2BrH/c1-6-11-23-32(24-12-7-2)30-18-16-28(17-19-30)14-15-29-20-25-31(26-21-29)22-13-27-33(8-3,9-4)10-5;;/h14-21,25-26H,6-13,22-24,27H2,1-5H3;2*1H/q+2;;/p-2" RELATED InChI [ChEBI:] synonym: "InChIKey=VZUVCAGXYLMFEC-UHFFFAOYSA-L" RELATED InChIKey [ChEBI:] xref: ChemIDplus:149838-22-2 "CAS Registry Number" is_a: CHEBI:48369 is_a: CHEBI:35273 relationship: has_role CHEBI:51217 is_a: CHEBI:32876 is_a: CHEBI:38188 relationship: has_part CHEBI:52850 [Term] id: CHEBI:52078 name: FM 4-64 dye def: "An organic bromide salt that has formula C34H53Br2N3." [] synonym: "4-{6-[4-(dibutylamino)phenyl]hexa-1,3,5-trien-1-yl}-1-[3-(triethylammonio)propyl]pyridinium dibromide" EXACT IUPAC_NAME [IUPAC:] synonym: "4-[6-[4-(diethylamino)phenyl]-1,3,5-hexatrien-1-yl]-1-[3-(triethylammonio)propyl]-pyridiniumbromide" RELATED [ChEBI:] synonym: "FM4-64" RELATED [ChEBI:] synonym: "C34H53Br2N3" RELATED FORMULA [ChEBI:] synonym: "[Br-].[Br-].[H]C(=CC([H])=Cc1cc[n+](CCC[N+](CC)(CC)CC)cc1)C=C([H])c1ccc(cc1)N(CCCC)CCCC" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C34H53N3.2BrH/c1-6-11-27-36(28-12-7-2)34-22-20-32(21-23-34)18-15-13-14-16-19-33-24-29-35(30-25-33)26-17-31-37(8-3,9-4)10-5;;/h13-16,18-25,29-30H,6-12,17,26-28,31H2,1-5H3;2*1H/q+2;;/p-2" RELATED InChI [ChEBI:] synonym: "InChIKey=YLCOJTKDARPCKE-UHFFFAOYSA-L" RELATED InChIKey [ChEBI:] is_a: CHEBI:48369 is_a: CHEBI:35273 relationship: has_role CHEBI:51217 relationship: has_part CHEBI:52856 [Term] id: CHEBI:52260 name: rhod-2 dye def: "An organic bromide salt that has formula C52H59BrN4O19." [] synonym: "Rhod-2 AM" RELATED [ChEBI:] synonym: "N-[9-(4-{bis[2-(acetoxymethoxy)-2-oxoethyl]amino}-3-[2-(2-{bis[2-(acetoxymethoxy)-2-oxoethyl]amino}-5-methylphenoxy)ethoxy]phenyl)-6-(dimethylamino)-3H-xanthen-3-ylidene]-N-methylmethanaminium bromide" EXACT IUPAC_NAME [IUPAC:] synonym: "C52H59BrN4O19" RELATED FORMULA [ChEBI:] synonym: "[Br-].CN(C)c1ccc2c(-c3ccc(N(CC(=O)OCOC(C)=O)CC(=O)OCOC(C)=O)c(OCCOc4cc(C)ccc4N(CC(=O)OCOC(C)=O)CC(=O)OCOC(C)=O)c3)c3ccc(cc3oc2c1)=[N+](C)C" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C52H59N4O19.BrH/c1-32-10-16-42(55(24-48(61)71-28-67-33(2)57)25-49(62)72-29-68-34(3)58)46(20-32)65-18-19-66-47-21-37(11-17-43(47)56(26-50(63)73-30-69-35(4)59)27-51(64)74-31-70-36(5)60)52-40-14-12-38(53(6)7)22-44(40)75-45-23-39(54(8)9)13-15-41(45)52;/h10-17,20-23H,18-19,24-31H2,1-9H3;1H/q+1;/p-1" RELATED InChI [ChEBI:] synonym: "InChIKey=RWXWZOWDWYQKBK-UHFFFAOYSA-M" RELATED InChIKey [ChEBI:] is_a: CHEBI:48369 relationship: has_role CHEBI:51217 is_a: CHEBI:37929 relationship: has_part CHEBI:52892 [Term] id: CHEBI:52273 name: carbocyanin DBTC def: "An organic bromide salt that has formula C30H27BrN2S2." [] synonym: "3,3'-Diethyl-9-methyl-4,5,4',5'-dibenzothiacarbocyanine bromide" RELATED [ChemIDplus:] synonym: "4,5,4',5'-Dibenzo-3,3'-diethyl-9-methylthiacarbocyanine bromide" RELATED [ChemIDplus:] synonym: "Stains-all" RELATED [ChemIDplus:] synonym: "1-ethyl-2-[3-(1-ethylnaphtho[1,2-d][1,3]thiazol-2(1H)-ylidene)-2-methylprop-1-en-1-yl]naphtho[1,2-d][1,3]thiazol-1-ium bromide" EXACT IUPAC_NAME [IUPAC:] synonym: "C30H27BrN2S2" RELATED FORMULA [ChEBI:] synonym: "[Br-].[H]C(=C(C)C([H])=C1Sc2ccc3ccccc3c2N1CC)c1sc2ccc3ccccc3c2[n+]1CC" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C30H27N2S2.BrH/c1-4-31-27(33-25-16-14-21-10-6-8-12-23(21)29(25)31)18-20(3)19-28-32(5-2)30-24-13-9-7-11-22(24)15-17-26(30)34-28;/h6-19H,4-5H2,1-3H3;1H/q+1;/p-1" RELATED InChI [ChEBI:] synonym: "InChIKey=MPBRYMWMMKKRGC-UHFFFAOYSA-M" RELATED InChIKey [ChEBI:] xref: ChemIDplus:7423-31-6 "CAS Registry Number" is_a: CHEBI:48369 relationship: has_role CHEBI:51217 is_a: CHEBI:37960 relationship: has_part CHEBI:52919 [Term] id: CHEBI:52780 name: X-rhod-1 def: "A fluorescent dye having an absorption wavelength of 580 nm and an emission wavelength of 601 nm, derived from a xanthene-based heteroheptacycle." [] synonym: "9-(4-{bis[2-(acetyloxymethoxy)-2-oxoethyl]amino}-3-[2-(2-{bis[2-(acetyloxymethoxy)-2-oxoethyl]amino}-5-methylphenoxy)ethoxy]phenyl)-2,3,6,7,12,13,16,17-octahydro-1H,5H,11H,15H-pyrido[3,2,1-ij]quinolizino[1',9':6,7,8]chromeno[2,3-f]quinolin-4-ium bromide" EXACT IUPAC_NAME [IUPAC:] synonym: "C60H67BrN4O19" RELATED FORMULA [ChEBI:] synonym: "[Br-].CC(=O)OCOC(=O)CN(CC(=O)OCOC(C)=O)c1ccc(C)cc1OCCOc1cc(ccc1N(CC(=O)OCOC(C)=O)CC(=O)OCOC(C)=O)C1=c2cc3CCC[N+]4=c3c(CCC4)c2Oc2c3CCCN4CCCc(cc12)c34" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C60H67N4O19.BrH/c1-36-14-16-48(63(28-52(69)79-32-75-37(2)65)29-53(70)80-33-76-38(3)66)50(24-36)73-22-23-74-51-27-41(15-17-49(51)64(30-54(71)81-34-77-39(4)67)31-55(72)82-35-78-40(5)68)56-46-25-42-10-6-18-61-20-8-12-44(57(42)61)59(46)83-60-45-13-9-21-62-19-7-11-43(58(45)62)26-47(56)60;/h14-17,24-27H,6-13,18-23,28-35H2,1-5H3;1H/q+1;/p-1" RELATED InChI [ChEBI:] synonym: "InChIKey=MPFIISQEADXBEO-UHFFFAOYSA-M" RELATED InChIKey [ChEBI:] is_a: CHEBI:48369 relationship: has_role CHEBI:51217 is_a: CHEBI:52157 relationship: has_parent_hydride CHEBI:52655 relationship: has_part CHEBI:52935 [Term] id: CHEBI:53233 name: 3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyltetrazolium bromide def: "The bromide salt of 3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyltetrazolium." [] synonym: "3-(4,5-dimethylthiazole-2-yl)-2,5-diphenyltetrazolium bromide" RELATED [ChEBI:] synonym: "3-(4,5-Dimethylthiazolyl-2)-2,5-diphenyltetrazolium bromide" RELATED [ChemIDplus:] synonym: "3-(4,5-Dimethylthiazolyl)-2,5-diphenyltetrazolium bromide" RELATED [ChemIDplus:] synonym: "Methylthiazoletetrazolium" RELATED [ChemIDplus:] synonym: "TMCHB" RELATED [ChemIDplus:] synonym: "3-(4,5-dimethyl-1,3-thiazol-2-yl)-2,5-diphenyl-2H-tetrazol-3-ium bromide" EXACT IUPAC_NAME [IUPAC:] synonym: "MMT Tetrazolium" RELATED [ChemIDplus:] synonym: "MTT" RELATED [ChemIDplus:] synonym: "2-(4,5-dimethyl-1,3-thiazol-2-yl)-3,5-diphenyl-2H-tetrazol-3-ium bromide" RELATED [IUPAC:] synonym: "Thiazolyl blue" RELATED [ChemIDplus:] synonym: "Thiazolyl Blue Monotetrazolium" RELATED [ChemIDplus:] synonym: "Thiazolyl blue tetrazolium bromide" RELATED [ChemIDplus:] synonym: "C18H16BrN5S" RELATED FORMULA [ChEBI:] synonym: "[Br-].Cc1nc(sc1C)-[n+]1nc(nn1-c1ccccc1)-c1ccccc1" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C18H16N5S.BrH/c1-13-14(2)24-18(19-13)23-21-17(15-9-5-3-6-10-15)20-22(23)16-11-7-4-8-12-16;/h3-12H,1-2H3;1H/q+1;/p-1" RELATED InChI [ChEBI:] synonym: "InChIKey=AZKSAVLVSZKNRD-UHFFFAOYSA-M" RELATED InChIKey [ChEBI:] xref: ChemIDplus:298-93-1 "CAS Registry Number" xref: Beilstein:3825277 "Beilstein Registry Number" xref: CiteXplore:7994925 "PubMed citation" is_a: CHEBI:48369 relationship: has_part CHEBI:53238 [Term] id: CHEBI:9940 name: vecuronium bromide def: "The bromide salt of a 5alpha androstane compound having 3alpha-acetoxy-, 17beta-acetoxy-, 2beta-piperidinino- and 16beta-N-methylpiperidinium substituents." [] synonym: "vecuronii bromidum" RELATED INN [ChemIDplus:] synonym: "1-(3alpha,17beta-Dihydroxy-2beta-piperidino-5alpha-androstan-16beta,5alpha-yl)-1-methylpiperidinium bromide, diacetate" RELATED [ChemIDplus:] synonym: "bromuro de vecuronio" RELATED INN [ChemIDplus:] synonym: "bromure de vecuronium" RELATED INN [ChemIDplus:] synonym: "vecuronium bromide" RELATED INN [KEGG DRUG:] synonym: "(2beta,3alpha,5alpha,16beta,17beta)-3,17-diacetoxy-16-(1-methylpiperidinium-1-yl)-2-(piperidin-1-yl)androstane bromide" EXACT IUPAC_NAME [IUPAC:] synonym: "C34H57N2O4.Br" RELATED FORMULA [KEGG COMPOUND:] synonym: "C34H57BrN2O4" RELATED FORMULA [ChEBI:] synonym: "[Br-].[H][C@@]12CC[C@]3([H])[C@]([H])(CC[C@]4(C)[C@@H](OC(C)=O)[C@H](C[C@@]34[H])[N+]3(C)CCCCC3)[C@@]1(C)C[C@@H]([C@H](C2)OC(C)=O)N1CCCCC1" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C34H57N2O4.BrH/c1-23(37)39-31-20-25-12-13-26-27(34(25,4)22-29(31)35-16-8-6-9-17-35)14-15-33(3)28(26)21-30(32(33)40-24(2)38)36(5)18-10-7-11-19-36;/h25-32H,6-22H2,1-5H3;1H/q+1;/p-1/t25-,26+,27-,28-,29-,30-,31-,32-,33-,34-;/m0./s1" RELATED InChI [ChEBI:] synonym: "InChIKey=VEPSYABRBFXYIB-PWXDFCLTSA-M" RELATED InChIKey [ChEBI:] xref: CiteXplore:17667569 "PubMed citation" xref: DrugBank:50700-72-6 "CAS Registry Number" xref: DrugBank:DB01339 "DrugBank" xref: KEGG DRUG:D00767 "KEGG DRUG" xref: KEGG DRUG:50700-72-6 "CAS Registry Number" xref: Beilstein:7164568 "Beilstein Registry Number" xref: ChemIDplus:50700-72-6 "CAS Registry Number" is_a: CHEBI:35273 is_a: CHEBI:48369 relationship: has_part CHEBI:9939 relationship: has_role CHEBI:48878 relationship: has_role CHEBI:51372 relationship: has_functional_parent CHEBI:28859 [Term] id: CHEBI:8885 name: rocuronium bromide def: "The bromide salt of a 5alpha androstane compound having 3alpha-hydroxy-, 17beta-acetoxy-, 2beta-morpholino- and 16beta-N-allyllyrrolidinium substituents." [] synonym: "rocuronium bromide" RELATED INN [KEGG DRUG:] synonym: "1-Allyl-1-(3alpha,17beta-dihydroxy-2beta-morpholino-5alpha-androstan-16beta-yl)pyrrolidinium bromide, 17-acetate" RELATED [ChemIDplus:] synonym: "C32H53N2O4.Br" RELATED FORMULA [KEGG COMPOUND:] synonym: "C32H53BrN2O4" RELATED FORMULA [ChEBI:] synonym: "[Br-].[H][C@@]12CC[C@]3([H])[C@]([H])(CC[C@]4(C)[C@@H](OC(C)=O)[C@H](C[C@@]34[H])[N+]3(CCCC3)CC=C)[C@@]1(C)C[C@@H]([C@@H](O)C2)N1CCOCC1" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C32H53N2O4.BrH/c1-5-14-34(15-6-7-16-34)28-20-26-24-9-8-23-19-29(36)27(33-12-17-37-18-13-33)21-32(23,4)25(24)10-11-31(26,3)30(28)38-22(2)35;/h5,23-30,36H,1,6-21H2,2-4H3;1H/q+1;/p-1/t23-,24+,25-,26-,27-,28-,29-,30-,31-,32-;/m0./s1" RELATED InChI [ChEBI:] synonym: "InChIKey=OYTJKRAYGYRUJK-FMCCZJBLSA-M" RELATED InChIKey [ChEBI:] xref: DrugBank:DB00728 "DrugBank" xref: ChemIDplus:119302-91-9 "CAS Registry Number" xref: CiteXplore:17667569 "PubMed citation" xref: KEGG DRUG:D00765 "KEGG DRUG" xref: KEGG DRUG:119302-91-9 "CAS Registry Number" xref: Beilstein:7161858 "Beilstein Registry Number" xref: DrugBank:119302-91-9 "CAS Registry Number" is_a: CHEBI:48369 is_a: CHEBI:35273 relationship: has_part CHEBI:8884 relationship: has_parent_hydride CHEBI:28859 relationship: has_role CHEBI:51372 [Term] id: CHEBI:3567 name: cetyltrimethylammonium bromide alt_id: CHEBI:207931 def: "The bromide salt of cetyltrimethylammonium" [] synonym: "N-Hexadecyltrimethylammonium bromide" RELATED [ChemIDplus:] synonym: "Trimethylhexadecylammonium bromide" RELATED [ChemIDplus:] synonym: "N,N,N-trimethylhexadecan-1-aminium bromide" EXACT IUPAC_NAME [IUPAC:] synonym: "Ctmab" RELATED [ChemIDplus:] synonym: "Palmityltrimethyl ammonium bromide" RELATED [ChemIDplus:] synonym: "Cetrimide" RELATED [ChemIDplus:] synonym: "hexadecyltrimethylammonium bromide" RELATED [ChemIDplus:] synonym: "Cetyltrimethylammonium bromide" EXACT [KEGG COMPOUND:] synonym: "N,N,N-Trimethyl-1-hexadecanaminium bromide" RELATED [ChemIDplus:] synonym: "N-Cetyltrimethylammonium bromide" RELATED [ChemIDplus:] synonym: "N-Hexadecyl-N,N,N-trimethylammonium bromide" RELATED [ChemIDplus:] synonym: "CTAB" RELATED [ChemIDplus:] synonym: "Cee dee" RELATED [ChemIDplus:] synonym: "Cetab" RELATED [ChemIDplus:] synonym: "Bromure de cetrimonium" RELATED [ChemIDplus:] synonym: "Cetrimonium bromide" RELATED [KEGG COMPOUND:] synonym: "Trimethylcetylammonium bromide" RELATED [KEGG COMPOUND:] synonym: "cetrimide" RELATED [ChEBI:] synonym: "n-Hexadecyltrimethylammonium bromide" RELATED [ChemIDplus:] synonym: "Bromat" RELATED [ChemIDplus:] synonym: "Bromuro de cetrimonio" RELATED [ChemIDplus:] synonym: "Cetyl trimethyl ammonium bromide" RELATED [ChemIDplus:] synonym: "Centimide" RELATED [ChemIDplus:] synonym: "N,N,N-Trimethylcetylammonium bromide" RELATED [ChemIDplus:] synonym: "Cetrimonii bromidum" RELATED [ChemIDplus:] synonym: "hexadecyltrimethylammonium bromide" RELATED [ChEMBL:] synonym: "Hexadecyl-trimethyl-ammonium; bromide" RELATED [ChEMBL:] synonym: "C19H42N.Br" RELATED FORMULA [KEGG COMPOUND:] synonym: "C19H42BrN" RELATED FORMULA [ChEBI:] synonym: "[Br-].CCCCCCCCCCCCCCCC[N+](C)(C)C" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C19H42N.BrH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)4;/h5-19H2,1-4H3;1H/q+1;/p-1" RELATED InChI [ChEBI:] synonym: "InChIKey=LZZYPRNAOMGNLH-UHFFFAOYSA-M" RELATED InChIKey [ChEBI:] xref: KEGG COMPOUND:57-09-0 "CAS Registry Number" xref: KEGG COMPOUND:C11275 "KEGG COMPOUND" xref: Gmelin:156228 "Gmelin Registry Number" xref: Beilstein:3598189 "Beilstein Registry Number" xref: CiteXplore:7526642 "PubMed citation" xref: ChemIDplus:57-09-0 "CAS Registry Number" xref: CiteXplore:6196640 "PubMed citation" xref: DrugBank:DB01718 "DrugBank" xref: ChEMBL:15149689 "PubMed citation" xref: ChEMBL:10669577 "PubMed citation" xref: ChEMBL:17284452 "PubMed citation" xref: ChEMBL:7381846 "PubMed citation" xref: ChEMBL:17145794 "PubMed citation" xref: ChEMBL:12127527 "PubMed citation" xref: ChEMBL:9357523 "PubMed citation" xref: ChEMBL:15916434 "PubMed citation" is_a: CHEBI:35273 relationship: has_part CHEBI:39561 is_a: CHEBI:48369 [Term] id: CHEBI:3744 name: clidinium bromide def: "The bromide salt of clinidium. It is used for the symptomatic treatment of peptic ulcer disease and also to help relieve abdominal or stomach spasms or cramps due to colicky abdominal pain, diverticulitis, and irritable bowel syndrome." [] synonym: "(+-)-3-hydroxy-1-methylquinuclidinium bromide benzilate" RELATED [ChemIDplus:] synonym: "1-methyl-3-(benziloyloxy)quinuclidinium bromide" RELATED [ChemIDplus:] synonym: "bromure de clidinium" RELATED INN [ChemIDplus:] synonym: "quinuclidinol methylbromide, benzilate" RELATED [ChemIDplus:] synonym: "3-hydroxy-1-methylquinuclidinium bromide benzilate" RELATED [ChemIDplus:] synonym: "clidinii bromidum" RELATED INN [ChemIDplus:] synonym: "3-(2,2-diphenyl-2-hydroxyethanoyloxy)-quinuclidinium bromide" RELATED [ChemIDplus:] synonym: "clidinium bromide" RELATED INN [ChemIDplus:] synonym: "3-(benziloyloxy)-1-methylquinuclidinium bromide" RELATED [ChemIDplus:] synonym: "bromuro de clidinio" RELATED INN [ChemIDplus:] synonym: "3-{[hydroxy(diphenyl)acetyl]oxy}-1-methyl-1-azoniabicyclo[2.2.2]octane bromide" EXACT IUPAC_NAME [IUPAC:] synonym: "C22H26BrNO3" RELATED FORMULA [ChEBI:] synonym: "[Br-].C[N@@+]12CC[C@@H](CC1)C(C2)OC(=O)C(O)(c1ccccc1)c1ccccc1" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C22H26NO3.BrH/c1-23-14-12-17(13-15-23)20(16-23)26-21(24)22(25,18-8-4-2-5-9-18)19-10-6-3-7-11-19;/h2-11,17,20,25H,12-16H2,1H3;1H/q+1;/p-1/t17-,20?,23+;" RELATED InChI [ChEBI:] synonym: "InChIKey=GKEGFOKQMZHVOW-KUTGSRRKSA-M" RELATED InChIKey [ChEBI:] xref: Patent:US2648667 "Patent" xref: KEGG DRUG:3485-62-9 "CAS Registry Number" xref: KEGG DRUG:D00716 "KEGG DRUG" xref: DrugBank:DB00771 "DrugBank" is_a: CHEBI:35273 relationship: has_part CHEBI:3743 is_a: CHEBI:48369 relationship: has_functional_parent CHEBI:39414 relationship: has_functional_parent CHEBI:115239 relationship: has_role CHEBI:50370 relationship: has_role CHEBI:53784 relationship: has_role CHEBI:38070 [Term] id: CHEBI:65344 name: aclidinium bromide def: "A quaternary ammonium salt that is the bromide salt of aclidinium. A muscarinic acetylcholine M3 receptor antagonist, for the long-term maintenance treatment of bronchospasm associated with chronic obstructive pulmonary disease (COPD)." [] synonym: "aclidinium bromide" RELATED INN [KEGG DRUG:] synonym: "(3R)-3-[2-hydroxy(di-2-thienyl)acetoxy]-1-(3-phenoxypropyl)-1-azoniabicyclo[2.2.2]octane bromide" EXACT IUPAC_NAME [IUPAC:] synonym: "Tudorza Pressair" RELATED BRAND_NAME [ChemIDplus:] synonym: "LAS 34273" RELATED [ChemIDplus:] synonym: "C26H30BrNO4S2" RELATED FORMULA [ChEBI:] synonym: "[Br-].OC(C(=O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)(c1cccs1)c1cccs1" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C26H30NO4S2.BrH/c28-25(26(29,23-9-4-17-32-23)24-10-5-18-33-24)31-22-19-27(14-11-20(22)12-15-27)13-6-16-30-21-7-2-1-3-8-21;/h1-5,7-10,17-18,20,22,29H,6,11-16,19H2;1H/q+1;/p-1/t20?,22-,27?;/m0./s1" RELATED InChI [ChEBI:] synonym: "InChIKey=XLAKJQPTOJHYDR-QTQXQZBYSA-M" RELATED InChIKey [ChEBI:] xref: CiteXplore:21957094 "PubMed citation" xref: CiteXplore:19683590 "PubMed citation" xref: CiteXplore:22541745 "PubMed citation" xref: CiteXplore:19592595 "PubMed citation" xref: KEGG DRUG:D08837 "KEGG DRUG" xref: CiteXplore:19653626 "PubMed citation" xref: CiteXplore:20044242 "PubMed citation" xref: CiteXplore:22320148 "PubMed citation" xref: CiteXplore:21194604 "PubMed citation" xref: CiteXplore:19451700 "PubMed citation" xref: CiteXplore:19431081 "PubMed citation" xref: CiteXplore:21184745 "PubMed citation" xref: CiteXplore:22003291 "PubMed citation" xref: CiteXplore:20959525 "PubMed citation" xref: CiteXplore:20868661 "PubMed citation" xref: CiteXplore:22366196 "PubMed citation" xref: CiteXplore:21628603 "PubMed citation" xref: CiteXplore:20093184 "PubMed citation" xref: CiteXplore:21903737 "PubMed citation" xref: CiteXplore:21417951 "PubMed citation" xref: CiteXplore:22213116 "PubMed citation" xref: CiteXplore:20332199 "PubMed citation" xref: Patent:US2005267078 "Patent" xref: ChemIDplus:320345-99-1 "CAS Registry Number" xref: Wikipedia:Aclidinium_bromide "Wikipedia" xref: CiteXplore:20573081 "PubMed citation" xref: CiteXplore:20884687 "PubMed citation" xref: CiteXplore:19640353 "PubMed citation" xref: Reaxys:11340576 "Reaxys Registry Number" xref: CiteXplore:19710368 "PubMed citation" xref: CiteXplore:21183326 "PubMed citation" is_a: CHEBI:35273 is_a: CHEBI:48369 relationship: has_role CHEBI:48876 relationship: has_role CHEBI:35523 relationship: has_part CHEBI:65346 [Term] id: CHEBI:488385 name: alcuronium bromide def: "The bromide salt of alcuronium." [] synonym: "diallylnortoxiferine dibromide" RELATED [ChEBI:] synonym: "N,N'-diallylnortoxiferinium dibromide" RELATED [ChEBI:] synonym: "bromuro de alcuronic" RELATED [ChEBI:] synonym: "(1R,3aR,9Z,10S,11aS,12R,14aR,19aS,20Z,20bS,21S,22aS,23E,26E)-23,26-bis(2-hydroxyethylidene)-1,12-di(prop-2-en-1-yl)-1,2,3,10,11,11a,12,13,14,21,22,22a-dodecahydro-19aH,20bH-1,21:10,12-diethanodipyrrolo[3,2-f:3,2-f'][1,5]diazocino[3,2,1-jk:7,6,5-j'k']dicarbazole-1,12-diium dibromide" EXACT IUPAC_NAME [IUPAC:] synonym: "alcuronium dibromide" RELATED [ChEBI:] synonym: "bromure d'alcuronium" RELATED [ChEBI:] synonym: "C44H50Br2N4O2" RELATED FORMULA [ChEBI:] synonym: "[Br-].[Br-].[H][C@]12C[C@@]3([H])[C@@]4(CC[N@@+]3(CC=C)C\\C1=C\\CO)c1ccccc1N1\\C=C3\\[C@@]5([H])C[C@@]6([H])[C@@]7(CC[N@@+]6(CC=C)C\\C5=C\\CO)c5ccccc5N(\\C=C2/[C@@]41[H])[C@@]37[H]" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C44H50N4O2.2BrH/c1-3-17-47-19-15-43-35-9-5-7-11-37(35)45-26-34-32-24-40-44(16-20-48(40,18-4-2)28-30(32)14-22-50)36-10-6-8-12-38(36)46(42(34)44)25-33(41(43)45)31(23-39(43)47)29(27-47)13-21-49;;/h3-14,25-26,31-32,39-42,49-50H,1-2,15-24,27-28H2;2*1H/q+2;;/p-2/b29-13-,30-14-,33-25-,34-26-;;/t31-,32-,39-,40-,41-,42-,43+,44+,47-,48-;;/m0../s1" RELATED InChI [ChEBI:] synonym: "InChIKey=BXTUHNWXQLWICJ-GKLGUMFISA-L" RELATED InChIKey [ChEBI:] is_a: CHEBI:22925 relationship: has_part CHEBI:55313 [Term] id: CHEBI:55316 name: acetylcholine bromide def: "The bromide salt of acetylcholine." [] synonym: "Pragmoline" RELATED [ChemIDplus:] synonym: "bromoacetylcholine" RELATED [ChEBI:] synonym: "Tonocholin B" RELATED [ChemIDplus:] synonym: "(2-Acetoxyethyl)trimethylammonium bromide" RELATED [ChEBI:] synonym: "N,N,N-Trimethyl-2-acetoxyethylammonium bromide" RELATED [ChemIDplus:] synonym: "2-acetoxyethyltrimethylammonium bromide" RELATED [ChEBI:] synonym: "Trimethyl(2-acetoxyethyl)ammonium bromide" RELATED [ChemIDplus:] synonym: "Acetylcholine bromhydrate" RELATED [ChemIDplus:] synonym: "2-acetoxy-N,N,N-trimethylethanaminium bromide" EXACT IUPAC_NAME [IUPAC:] synonym: "Acetoxyethyl-trimethylammonium bromide" RELATED [ChemIDplus:] synonym: "Acetylcholine hydrobromide" RELATED [ChemIDplus:] synonym: "(2-hydroxyethyltrimethyl)ammonium bromide acetate" RELATED [ChEBI:] synonym: "C7H16BrNO2" RELATED FORMULA [ChEBI:] synonym: "[Br-].CC(=O)OCC[N+](C)(C)C" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C7H16NO2.BrH/c1-7(9)10-6-5-8(2,3)4;/h5-6H2,1-4H3;1H/q+1;/p-1" RELATED InChI [ChEBI:] synonym: "InChIKey=ZEHGKSPCAMLJDC-UHFFFAOYSA-M" RELATED InChIKey [ChEBI:] xref: ChemIDplus:66-23-9 "CAS Registry Number" xref: Beilstein:3572117 "Beilstein Registry Number" xref: CiteXplore:6196640 "PubMed citation" is_a: CHEBI:35273 relationship: has_part CHEBI:15355 is_a: CHEBI:22925 [Term] id: CHEBI:55317 name: tetramethylammonium bromide def: "The bromide salt of tetramethylammonium." [] synonym: "N,N,N-trimethylmethanaminium bromide" EXACT IUPAC_NAME [IUPAC:] synonym: "Tetramethylammonium bromide" EXACT [ChemIDplus:] synonym: "TMAB" RELATED [NIST Chemistry WebBook:] synonym: "C4H12BrN" RELATED FORMULA [ChEBI:] synonym: "[Br-].C[N+](C)(C)C" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C4H12N.BrH/c1-5(2,3)4;/h1-4H3;1H/q+1;/p-1" RELATED InChI [ChEBI:] synonym: "InChIKey=DDFYFBUWEBINLX-UHFFFAOYSA-M" RELATED InChIKey [ChEBI:] xref: ChemIDplus:64-20-0 "CAS Registry Number" xref: NIST Chemistry WebBook:64-20-0 "CAS Registry Number" xref: CiteXplore:6196640 "PubMed citation" xref: Beilstein:3620955 "Beilstein Registry Number" is_a: CHEBI:22925 is_a: CHEBI:35273 relationship: has_part CHEBI:46020 [Term] id: CHEBI:55318 name: tetrapropylammonium bromide def: "A quarternary ammonium bromide salt in which the cation has four propyl substituents around the central nitrogen." [] synonym: "N,N,N-tripropyl-1-propanaminium bromide" RELATED [ChemIDplus:] synonym: "N,N,N-tripropylpropan-1-aminium bromide" EXACT IUPAC_NAME [IUPAC:] synonym: "N,N,N-tripropyl-1-propanaminium bromide (1:1)" RELATED [ChemIDplus:] synonym: "C12H28BrN" RELATED FORMULA [ChEBI:] synonym: "[Br-].CCC[N+](CCC)(CCC)CCC" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C12H28N.BrH/c1-5-9-13(10-6-2,11-7-3)12-8-4;/h5-12H2,1-4H3;1H/q+1;/p-1" RELATED InChI [ChEBI:] synonym: "InChIKey=BGQMOFGZRJUORO-UHFFFAOYSA-M" RELATED InChIKey [ChEBI:] xref: Beilstein:3567846 "Beilstein Registry Number" xref: CiteXplore:6196640 "PubMed citation" xref: ChemIDplus:1941-30-6 "CAS Registry Number" is_a: CHEBI:22925 is_a: CHEBI:35273 relationship: has_part CHEBI:55319 [Term] id: CHEBI:346954 name: octyltrimethylammonium bromide def: "A quarternary ammonium salt whose basic unit comprises an octyltrimethylammonium cation and a bromide anion." [] synonym: "Octalone" RELATED [ChemIDplus:] synonym: "N,N,N-Trimethyl-1-octanaminium bromide" RELATED [ChemIDplus:] synonym: "N,N,N-trimethyloctan-1-aminium bromide" EXACT IUPAC_NAME [IUPAC:] synonym: "n-Octyltrimethylammonium bromide" RELATED [ChemIDplus:] synonym: "C11H26BrN" RELATED FORMULA [ChEBI:] synonym: "[Br-].CCCCCCCC[N+](C)(C)C" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C11H26N.BrH/c1-5-6-7-8-9-10-11-12(2,3)4;/h5-11H2,1-4H3;1H/q+1;/p-1" RELATED InChI [ChEBI:] synonym: "InChIKey=XCOHAFVJQZPUKF-UHFFFAOYSA-M" RELATED InChIKey [ChEBI:] xref: ChEMBL:10669577 "PubMed citation" xref: CiteXplore:6196640 "PubMed citation" xref: Beilstein:3628448 "Beilstein Registry Number" xref: ChemIDplus:2083-68-3 "CAS Registry Number" is_a: CHEBI:35273 is_a: CHEBI:22925 relationship: has_part CHEBI:55321 [Term] id: CHEBI:295756 name: decyltrimethylammonium bromide def: "A quarternary ammonium salt whose basic unit comprises a decyltrimethylammonium cation and a bromide anion." [] synonym: "DTAB" RELATED [ChemIDplus:] synonym: "n-Decyltrimethylammonium bromide" RELATED [ChemIDplus:] synonym: "N,N,N-Trimethyldecylammonium bromide" RELATED [ChemIDplus:] synonym: "N,N,N-Trimethyl-1-decanaminium bromide" RELATED [ChemIDplus:] synonym: "Trimethyldecylammonium bromide" RELATED [ChemIDplus:] synonym: "N,N,N-trimethyldecan-1-aminium bromide" EXACT IUPAC_NAME [IUPAC:] synonym: "C13H30BrN" RELATED FORMULA [ChEBI:] synonym: "[Br-].CCCCCCCCCC[N+](C)(C)C" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C13H30N.BrH/c1-5-6-7-8-9-10-11-12-13-14(2,3)4;/h5-13H2,1-4H3;1H/q+1;/p-1" RELATED InChI [ChEBI:] synonym: "InChIKey=PLMFYJJFUUUCRZ-UHFFFAOYSA-M" RELATED InChIKey [ChEBI:] xref: Beilstein:3915222 "Beilstein Registry Number" xref: CiteXplore:6196640 "PubMed citation" xref: ChemIDplus:2082-84-0 "CAS Registry Number" xref: ChEMBL:9357523 "PubMed citation" is_a: CHEBI:35273 is_a: CHEBI:22925 relationship: has_part CHEBI:55325 [Term] id: CHEBI:282662 name: dodecyltrimethylammonium bromide def: "A quarternary ammonium cation having one dodecyl and three methyl substituents around the central nitrogen." [] synonym: "DTAB" RELATED [ChemIDplus:] synonym: "Trimethyldodecylammonium bromide" RELATED [ChemIDplus:] synonym: "Dctab" RELATED [ChemIDplus:] synonym: "Lauryltrimethylammonium bromide" RELATED [ChemIDplus:] synonym: "Trimethyllaurylammonium bromide" RELATED [ChemIDplus:] synonym: "N,N,N-trimethyldodecan-1-aminium bromide" EXACT IUPAC_NAME [IUPAC:] synonym: "N,N,N-Trimethyl-1-dodecanaminiuim bromide" RELATED [ChemIDplus:] synonym: "Morpan D" RELATED [ChemIDplus:] synonym: "N,N,N-Trimethyldodecan-1-ammonium bromide" RELATED [ChemIDplus:] synonym: "Laurtrimonium bromide" RELATED [ChemIDplus:] synonym: "N-Lauryl-N,N,N-trimethylammonium bromide" RELATED [ChemIDplus:] synonym: "LTAB" RELATED [ChemIDplus:] synonym: "C15H34BrN" RELATED FORMULA [ChEBI:] synonym: "[Br-].CCCCCCCCCCCC[N+](C)(C)C" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C15H34N.BrH/c1-5-6-7-8-9-10-11-12-13-14-15-16(2,3)4;/h5-15H2,1-4H3;1H/q+1;/p-1" RELATED InChI [ChEBI:] synonym: "InChIKey=XJWSAJYUBXQQDR-UHFFFAOYSA-M" RELATED InChIKey [ChEBI:] xref: ChemIDplus:1119-94-4 "CAS Registry Number" xref: Beilstein:3597463 "Beilstein Registry Number" xref: CiteXplore:6196640 "PubMed citation" is_a: CHEBI:35273 is_a: CHEBI:22925 relationship: has_part CHEBI:41378 [Term] id: CHEBI:179557 name: neostigmine bromide alt_id: CHEBI:7515 def: "The bromide salt of neostigmine." [] synonym: "neostigmine bromide" RELATED INN [ChemIDplus:] synonym: "neostigmini bromidum" RELATED INN [ChemIDplus:] synonym: "Proserine bromide" RELATED [ChemIDplus:] synonym: "3-Dimethylcarbamoxyphenyl trimethyl ammonium bromide" RELATED [ChemIDplus:] synonym: "Stigmanol bromide" RELATED [ChemIDplus:] synonym: "Kirkstigmine bromide" RELATED [ChemIDplus:] synonym: "3-[(dimethylcarbamoyl)oxy]-N,N,N-trimethylanilinium bromide" EXACT IUPAC_NAME [IUPAC:] synonym: "Leostigmine bromide" RELATED [ChemIDplus:] synonym: "Neostigmine methyl bromide" RELATED [ChemIDplus:] synonym: "3-Hydroxyphenyltrimethylammonium bromide dimethylcarbamic ester" RELATED [ChemIDplus:] synonym: "Eustigmin bromide" RELATED [ChemIDplus:] synonym: "Neoserine bromide" RELATED [ChemIDplus:] synonym: "Philostigmin bromide" RELATED [ChemIDplus:] synonym: "Synstigmin bromide" RELATED [ChemIDplus:] synonym: "(m-Hydroxyphenyl)trimethylammonium bromide dimethylcarbamate" RELATED [ChemIDplus:] synonym: "bromure de neostigmine" RELATED INN [ChemIDplus:] synonym: "bromuro de neostigmina" RELATED INN [ChemIDplus:] synonym: "neo-Proserin" RELATED [ChEBI:] synonym: "C12H19N2O2.Br" RELATED FORMULA [KEGG COMPOUND:] synonym: "C12H19BrN2O2" RELATED FORMULA [ChEBI:] synonym: "[Br-].CN(C)C(=O)Oc1cccc(c1)[N+](C)(C)C" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C12H19N2O2.BrH/c1-13(2)12(15)16-11-8-6-7-10(9-11)14(3,4)5;/h6-9H,1-5H3;1H/q+1;/p-1" RELATED InChI [ChEBI:] synonym: "InChIKey=LULNWZDBKTWDGK-UHFFFAOYSA-M" RELATED InChIKey [ChEBI:] xref: Wikipedia:Neostigmine "Wikipedia" xref: KEGG DRUG:D00995 "KEGG DRUG" xref: Beilstein:3640678 "Beilstein Registry Number" xref: CiteXplore:6196640 "PubMed citation" xref: KEGG COMPOUND:C08197 "KEGG COMPOUND" xref: ChemIDplus:114-80-7 "CAS Registry Number" is_a: CHEBI:22925 relationship: has_part CHEBI:7514 [Term] id: CHEBI:4391 name: demecarium bromide def: "The methobromide salt of the N,N'-bis[3-(dimethylamino)phenyl carbamate] derivative of 2,13-diazatetradecane. It is an inhibitor of acetylcholinesterase and pseudocholinesterase, with a long duration of action. It is used in the treatment of chronic open-angle glaucoma: in the eye, it causes constriction of the iris sphincter muscle and the ciliary muscle, facilitating the outflow of the aqueous humor and so reducing intraocular pressure." [] synonym: "demecarii bromidum" RELATED INN [ChemIDplus:] synonym: "3,3'-{decane-1,10-diylbis[(methylcarbamoyl)oxy]}bis(N,N,N-trimethylanilinium) dibromide" EXACT IUPAC_NAME [IUPAC:] synonym: "bromuro de demecario" RELATED INN [ChemIDplus:] synonym: "decamethylenebis(N-methylcarbamic acid m-dimethylaminophenyl ester) bromomethylate" RELATED [ChemIDplus:] synonym: "decamethylenebis(m-dimethylaminophenyl-N-methylcarbamate)dimethobromide" RELATED [ChemIDplus:] synonym: "(m-hydroxyphenyl)trimethylammonium bromide decamethylenebis(methylcarbamate)" RELATED [ChemIDplus:] synonym: "bromure de demecarium" RELATED INN [ChemIDplus:] synonym: "N,N'-bis(3-trimethylammoniumphenoxycarbonyl)-N,N'-dimethyldecamethylenediamine dibromide" RELATED [ChemIDplus:] synonym: "demecarium bromide" RELATED INN [ChemIDplus:] synonym: "C32H52Br2N4O4" RELATED FORMULA [ChEBI:] synonym: "[Br-].[Br-].CN(CCCCCCCCCCN(C)C(=O)Oc1cccc(c1)[N+](C)(C)C)C(=O)Oc1cccc(c1)[N+](C)(C)C" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C32H52N4O4.2BrH/c1-33(31(37)39-29-21-17-19-27(25-29)35(3,4)5)23-15-13-11-9-10-12-14-16-24-34(2)32(38)40-30-22-18-20-28(26-30)36(6,7)8;;/h17-22,25-26H,9-16,23-24H2,1-8H3;2*1H/q+2;;/p-2" RELATED InChI [ChEBI:] synonym: "InChIKey=YHKBUDZECQDYBR-UHFFFAOYSA-L" RELATED InChIKey [ChEBI:] xref: KEGG DRUG:D00667 "KEGG DRUG" xref: Wikipedia:Demecarium_Bromide "Wikipedia" xref: ChemIDplus:56-94-0 "CAS Registry Number" xref: DrugBank:DB00944 "DrugBank" xref: Beilstein:3880925 "Beilstein Registry Number" xref: KEGG DRUG:56-94-0 "CAS Registry Number" is_a: CHEBI:35273 is_a: CHEBI:22925 is_a: CHEBI:23003 relationship: has_part CHEBI:59719 relationship: has_role CHEBI:37733 relationship: has_role CHEBI:38462 [Term] id: CHEBI:61276 name: scopolamine methobromide def: "A quaternary ammonium salt resulting from the reaction of the amino group of scopolamine with methyl bromide." [] synonym: "(-)-(1S,3s,5R,6R,7S)-6,7-epoxy-8-methyl-3-[(S)-tropoyloxy]tropanium bromide" RELATED [ChEBI:] synonym: "(1R,2R,4S,5S,7s)-7-{[(2S)-3-hydroxy-2-phenylpropanoyl]oxy}-9,9-dimethyl-3-oxa-9-azoniatricyclo[3.3.1.0(2,4)]nonane" EXACT IUPAC_NAME [IUPAC:] synonym: "Pamine" RELATED BRAND_NAME [KEGG DRUG:] synonym: "N-methylhyoscine bromide" RELATED [DrugBank:] synonym: "(-)-scopolamine methyl bromide" RELATED [ChemIDplus:] synonym: "(S)-6beta,7beta-epoxy-8-methyl-3alpha-(-)-tropoyloxy-1alphaH,5alphaH-tromanium bromide" RELATED [ChemIDplus:] synonym: "hyoscine methobromide" RELATED INN [KEGG DRUG:] synonym: "N-methylscopolammonium bromide" RELATED [ChemIDplus:] synonym: "(-)-scopolamine methobromide" RELATED [ChEBI:] synonym: "scopolamine methyl bromide" RELATED [ChEBI:] synonym: "methscopolamine bromide" RELATED [ChemIDplus:] synonym: "methylscopolamine bromide" RELATED [ChemIDplus:] synonym: "hyoscine methyl bromide" RELATED [ChemIDplus:] synonym: "C18H24BrNO4" RELATED FORMULA [ChEBI:] synonym: "[Br-].C[N+]1(C)[C@H]2C[C@@H](C[C@@H]1[C@H]1O[C@@H]21)OC(=O)[C@H](CO)c1ccccc1" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C18H24NO4.BrH/c1-19(2)14-8-12(9-15(19)17-16(14)23-17)22-18(21)13(10-20)11-6-4-3-5-7-11;/h3-7,12-17,20H,8-10H2,1-2H3;1H/q+1;/p-1/t12-,13-,14-,15+,16-,17+;/m1./s1" RELATED InChI [ChEBI:] synonym: "InChIKey=CXYRUNPLKGGUJF-RAFJPFSSSA-M" RELATED InChIKey [ChEBI:] xref: KEGG DRUG:155-41-9 "CAS Registry Number" xref: DrugBank:DB00462 "DrugBank" xref: KEGG DRUG:D00715 "KEGG DRUG" xref: Patent:US2753288 "Patent" xref: Reaxys:8173227 "Reaxys Registry Number" xref: DrugBank:DB00747 "DrugBank" xref: ChemIDplus:155-41-9 "CAS Registry Number" is_a: CHEBI:35273 is_a: CHEBI:22925 relationship: has_functional_parent CHEBI:16794 relationship: has_role CHEBI:48876 relationship: has_role CHEBI:50919 relationship: has_role CHEBI:53784 relationship: has_role CHEBI:50370 [Term] id: CHEBI:7908 name: pancuronium bromide def: "A bromide salt consisting of two bromide ions and one pancuronium dication." [] synonym: "pancuronii bromidum" RELATED INN [ChemIDplus:] synonym: "bromuro de pancuronio" RELATED INN [ChemIDplus:] synonym: "bromure de pancuronium" RELATED INN [ChemIDplus:] synonym: "2beta,16beta-dipiperidino-5alpha-androstane-3alpha,17beta-diol diacetate dimethobromide" RELATED [ChemIDplus:] synonym: "Mioblock" RELATED BRAND_NAME [DrugBank:] synonym: "(2beta,3alpha,5alpha,16beta,17beta)-3,17-bis(acetyloxy)-2,16-bis(1-methylpiperidinium-1-yl)androstane dibromide" RELATED [IUPAC:] synonym: "Pavulon" RELATED BRAND_NAME [KEGG DRUG:] synonym: "3alpha,17beta-diacetoxy-2beta,16beta-bis(1-methylpiperidinium-1-yl)-5alpha-androstane dibromide" EXACT IUPAC_NAME [IUPAC:] synonym: "3alpha,17beta-diacetoxy-2beta,16beta-dipiperidino-5alpha-androstane dimethobromide" RELATED [ChemIDplus:] synonym: "pancuronium bromide" RELATED INN [ChemIDplus:] synonym: "C35H60Br2N2O4" RELATED FORMULA [ChEBI:] synonym: "[Br-].[Br-].[H][C@@]12CC[C@]3([H])[C@]([H])(CC[C@]4(C)[C@@]([H])(OC(C)=O)[C@H](C[C@@]34[H])[N+]3(C)CCCCC3)[C@@]1(C)C[C@@H]([C@H](C2)OC(C)=O)[N+]1(C)CCCCC1" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C35H60N2O4.2BrH/c1-24(38)40-32-21-26-13-14-27-28(35(26,4)23-31(32)37(6)19-11-8-12-20-37)15-16-34(3)29(27)22-30(33(34)41-25(2)39)36(5)17-9-7-10-18-36;;/h26-33H,7-23H2,1-6H3;2*1H/q+2;;/p-2/t26-,27+,28-,29-,30-,31-,32-,33-,34-,35-;;/m0../s1" RELATED InChI [ChEBI:] synonym: "InChIKey=NPIJXCQZLFKBMV-YTGGZNJNSA-L" RELATED InChIKey [ChEBI:] xref: KEGG DRUG:D00492 "KEGG DRUG" xref: ChemIDplus:15500-66-0 "CAS Registry Number" xref: Reaxys:4226892 "Reaxys Registry Number" xref: KEGG DRUG:15500-66-0 "CAS Registry Number" xref: DrugBank:DB01337 "DrugBank" is_a: CHEBI:22925 relationship: has_part CHEBI:7907 relationship: has_role CHEBI:51371 relationship: has_role CHEBI:48873 relationship: has_role CHEBI:48878 [Term] id: CHEBI:63004 name: sodium bromide def: "An inorganic sodium salt having bromide as the counterion." [] synonym: "Bromnatrium" RELATED [ChemIDplus:] synonym: "Trisodium tribromide" RELATED [ChemIDplus:] synonym: "Bromide salt of sodium" RELATED [ChemIDplus:] synonym: "NaBr" RELATED [SUBMITTER:] synonym: "BrNa" RELATED FORMULA [ChEBI:] synonym: "[Na+].[Br-]" RELATED SMILES [ChEBI:] synonym: "InChI=1S/BrH.Na/h1H;/q;+1/p-1" RELATED InChI [ChEBI:] synonym: "InChIKey=JHJLBTNAGRQEKS-UHFFFAOYSA-M" RELATED InChIKey [ChEBI:] xref: Wikipedia:Sodium_bromide "Wikipedia" xref: NIST Chemistry WebBook:7647-15-6 "CAS Registry Number" xref: ChemIDplus:7647-15-6 "CAS Registry Number" is_a: CHEBI:22925 is_a: CHEBI:38702 [Term] id: CHEBI:63042 name: lithium bromide def: "A lithium salt in which the counterion is bromide. The anhydrous salt forms cubic crystals similar to common salt." [] synonym: "lithium bromide" EXACT IUPAC_NAME [IUPAC:] synonym: "Lithium monobromide" RELATED [ChemIDplus:] synonym: "BrLi" RELATED FORMULA [ChEBI:] synonym: "[Li+].[Br-]" RELATED SMILES [ChEBI:] synonym: "InChI=1S/BrH.Li/h1H;/q;+1/p-1" RELATED InChI [ChEBI:] synonym: "InChIKey=AMXOYNBUYSYVKV-UHFFFAOYSA-M" RELATED InChIKey [ChEBI:] xref: CiteXplore:17580879 "PubMed citation" xref: NIST Chemistry WebBook:7550-35-8 "CAS Registry Number" xref: Wikipedia:Lithium_bromide "Wikipedia" xref: CiteXplore:18615076 "PubMed citation" xref: SUBMITTER:7550-35-8 "CAS Registry Number" is_a: CHEBI:22925 is_a: CHEBI:35478 [Term] id: CHEBI:16382 name: iodide alt_id: CHEBI:5946 alt_id: CHEBI:49698 alt_id: CHEBI:14460 def: "A monoatomic iodine that has formula I." [] synonym: "iodide" EXACT IUPAC_NAME [IUPAC:] synonym: "I(-)" RELATED [IUPAC:] synonym: "iodide(1-)" EXACT IUPAC_NAME [IUPAC:] synonym: "iodine anion" RELATED [NIST Chemistry WebBook:] synonym: "Iodide" EXACT [KEGG COMPOUND:] synonym: "I-" RELATED [KEGG COMPOUND:] synonym: "IODIDE ION" RELATED [PDBeChem:] synonym: "I" RELATED FORMULA [KEGG COMPOUND:] synonym: "[I-]" RELATED SMILES [ChEBI:] synonym: "InChI=1S/HI/h1H/p-1" RELATED InChI [ChEBI:] synonym: "InChIKey=XMBWDFGMSWQBCA-UHFFFAOYSA-M" RELATED InChIKey [ChEBI:] xref: Gmelin:14912 "Gmelin Registry Number" xref: Beilstein:3587184 "Beilstein Registry Number" xref: ChemIDplus:20461-54-5 "CAS Registry Number" xref: NIST Chemistry WebBook:20461-54-5 "CAS Registry Number" xref: KEGG COMPOUND:C00708 "KEGG COMPOUND" xref: PDBeChem:IOD "PDBeChem" is_a: CHEBI:16042 is_a: CHEBI:36897 relationship: is_conjugate_base_of CHEBI:43451 [Term] id: CHEBI:24858 name: iodide salt synonym: "iodide salts" RELATED [ChEBI:] synonym: "iodides" RELATED [ChEBI:] is_a: CHEBI:33958 relationship: has_part CHEBI:16382 is_a: CHEBI:24860 [Term] id: CHEBI:33167 name: sodium iodide def: "A metal iodide salt with a Na(+) counterion." [] synonym: "Sodium monoiodide" RELATED [ChemIDplus:] synonym: "sodium iodide" EXACT IUPAC_NAME [IUPAC:] synonym: "NaI" RELATED [IUPAC:] synonym: "INa" RELATED FORMULA [ChEBI:] synonym: "[Na+].[I-]" RELATED SMILES [ChEBI:] synonym: "InChI=1S/HI.Na/h1H;/q;+1/p-1" RELATED InChI [ChEBI:] synonym: "InChIKey=FVAUCKIRQBBSSJ-UHFFFAOYSA-M" RELATED InChIKey [ChEBI:] xref: ChemIDplus:7681-82-5 "CAS Registry Number" xref: Beilstein:13715 "Gmelin Registry Number" is_a: CHEBI:38702 is_a: CHEBI:24858 [Term] id: CHEBI:50356 name: organic iodide salt synonym: "organic iodide salts" RELATED [ChEBI:] is_a: CHEBI:24858 is_a: CHEBI:51069 [Term] id: CHEBI:32038 name: pralidoxime iodide def: "A pyridinium salt that has formula C7H9N2O.I." [] synonym: "2-[(E)-(hydroxyimino)methyl]-1-methylpyridinium iodide" EXACT IUPAC_NAME [IUPAC:] synonym: "C7H9N2O.I" RELATED FORMULA [KEGG DRUG:] synonym: "C7H9IN2O" RELATED FORMULA [ChEBI:] synonym: "[I-].C[n+]1ccccc1\\C=N\\O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C7H8N2O.HI/c1-9-5-3-2-4-7(9)6-8-10;/h2-6H,1H3;1H" RELATED InChI [ChEBI:] synonym: "InChIKey=QNBVYCDYFJUNLO-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: KEGG DRUG:94-63-3 "CAS Registry Number" xref: Beilstein:3730697 "Beilstein Registry Number" xref: KEGG DRUG:D01572 "KEGG DRUG" relationship: has_role CHEBI:50241 relationship: has_role CHEBI:38323 relationship: has_part CHEBI:8354 is_a: CHEBI:38188 is_a: CHEBI:50356 [Term] id: CHEBI:4290 name: 1,1-dimethyl-4-phenylpiperazinium iodide def: "A piperazinium salt that has formula C12H19N2.I." [] synonym: "1,1-Dimethyl-4-phenylpiperazinium Iodide" EXACT [KEGG COMPOUND:] synonym: "1,1-Dimethyl-4-phenylpiperazine iodide" RELATED [ChemIDplus:] synonym: "DMPP" RELATED [KEGG COMPOUND:] synonym: "Dimethylphenylpiperazinium iodide" RELATED [KEGG COMPOUND:] synonym: "DMPP iodide" RELATED [ChemIDplus:] synonym: "N,N-Dimethyl-N'-phenylpiperazinium iodide" RELATED [ChemIDplus:] synonym: "1,1-dimethyl-4-phenylpiperazinium iodide" EXACT IUPAC_NAME [IUPAC:] synonym: "C12H19N2.I" RELATED FORMULA [KEGG COMPOUND:] synonym: "[I-].C[N+]1(C)CCN(CC1)c1ccccc1" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C12H19N2.HI/c1-14(2)10-8-13(9-11-14)12-6-4-3-5-7-12;/h3-7H,8-11H2,1-2H3;1H/q+1;/p-1" RELATED InChI [ChEBI:] synonym: "InChIKey=XFZJGFIKQCCLGK-UHFFFAOYSA-M" RELATED InChIKey [ChEBI:] xref: KEGG COMPOUND:54-77-3 "CAS Registry Number" xref: Beilstein:3746109 "Beilstein Registry Number" xref: KEGG COMPOUND:C07488 "KEGG COMPOUND" xref: ChemIDplus:54-77-3 "CAS Registry Number" is_a: CHEBI:46848 is_a: CHEBI:35273 is_a: CHEBI:46849 relationship: has_role CHEBI:47958 is_a: CHEBI:50356 [Term] id: CHEBI:37993 name: 1,1'-diethyl-2,2'-cyanine iodide def: "A 1,1'-diethyl-2,2'-cyanine halide that has formula C23H23IN2." [] synonym: "1,1'-diethyl-2,2'-diquinocyanine iodide" RELATED [ChemIDplus:] synonym: "1,1'-diethyl-2,2'-cyanine iodide" EXACT [ChemIDplus:] synonym: "diethylcyanine iodide" RELATED [ChemIDplus:] synonym: "pseudoisocyanine iodide" RELATED [ChemIDplus:] synonym: "1,1'-diethyl-2,2'-quinocyanine iodide" RELATED [ChemIDplus:] synonym: "1-ethyl-2-{[1-ethylquinolin-2(1H)-ylidene]methyl}quinolinium iodide" EXACT IUPAC_NAME [IUPAC:] synonym: "C23H23IN2" RELATED FORMULA [ChEBI:] synonym: "[I-].[H]C(=C1C=Cc2ccccc2N1CC)c1ccc2ccccc2[n+]1CC" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C23H23N2.HI/c1-3-24-20(15-13-18-9-5-7-11-22(18)24)17-21-16-14-19-10-6-8-12-23(19)25(21)4-2;/h5-17H,3-4H2,1-2H3;1H/q+1;/p-1" RELATED InChI [ChEBI:] synonym: "InChIKey=GMYRVMSXMHEDTL-UHFFFAOYSA-M" RELATED InChIKey [ChEBI:] xref: ChemIDplus:977-96-8 "CAS Registry Number" xref: Beilstein:3819880 "Beilstein Registry Number" is_a: CHEBI:38003 is_a: CHEBI:50356 [Term] id: CHEBI:38007 name: 2-(4-dimethylaminostyryl)-1-ethylpyridinium iodide def: "An organic iodide salt that has formula C17H21IN2." [] synonym: "2-{2-[4-(dimethylamino)phenyl]vinyl}-1-ethylpyridinium iodide" RELATED [IUPAC:] synonym: "pinaflavol" RELATED [ChemIDplus:] synonym: "(2-(p-(dimethylamino)styryl)ethyl)pyridinium iodide" RELATED [ChemIDplus:] synonym: "2-(p-dimethylaminostyryl)-1-ethylpyridinium iodide" RELATED [ChemIDplus:] synonym: "2-{2-[4-(dimethylamino)phenyl]ethenyl}-1-ethylpyridinium iodide" EXACT IUPAC_NAME [IUPAC:] synonym: "C17H21IN2" RELATED FORMULA [ChEBI:] synonym: "[I-].[H]C(=C([H])c1cccc[n+]1CC)c1ccc(cc1)N(C)C" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C17H21N2.HI/c1-4-19-14-6-5-7-17(19)13-10-15-8-11-16(12-9-15)18(2)3;/h5-14H,4H2,1-3H3;1H/q+1;/p-1" RELATED InChI [ChEBI:] synonym: "InChIKey=AMAXNNVXIBDEMV-UHFFFAOYSA-M" RELATED InChIKey [ChEBI:] xref: Beilstein:4169767 "Beilstein Registry Number" xref: ChemIDplus:3785-01-1 "CAS Registry Number" is_a: CHEBI:37960 relationship: has_part CHEBI:38008 is_a: CHEBI:50356 [Term] id: CHEBI:37995 name: 4-(4-dimethylaminostyryl)-1-ethylpyridinium iodide def: "An organic iodide salt that has formula C17H21IN2." [] synonym: "4-{2-[4-(dimethylamino)phenyl]ethenyl}-1-ethylpyridinium iodide" EXACT IUPAC_NAME [IUPAC:] synonym: "4-(p-dimethylaminostyryl)-1-ethylpyridinium iodide" RELATED [ChEBI:] synonym: "4-{2-[4-(dimethylamino)phenyl]vinyl}-1-ethylpyridinium iodide" RELATED [IUPAC:] synonym: "C17H21IN2" RELATED FORMULA [ChEBI:] synonym: "[I-].[H]C(=C([H])c1cc[n+](CC)cc1)c1ccc(cc1)N(C)C" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C17H21N2.HI/c1-4-19-13-11-16(12-14-19)6-5-15-7-9-17(10-8-15)18(2)3;/h5-14H,4H2,1-3H3;1H/q+1;/p-1" RELATED InChI [ChEBI:] synonym: "InChIKey=QALDEYCJTBAWJV-UHFFFAOYSA-M" RELATED InChIKey [ChEBI:] xref: Beilstein:7106569 "Beilstein Registry Number" is_a: CHEBI:37960 relationship: has_part CHEBI:38006 is_a: CHEBI:50356 [Term] id: CHEBI:9704 name: tridihexethyl iodide def: "An organic iodide salt that has formula C21H36NO.I." [] synonym: "iodure de tridihexethyl" RELATED INN [WHO MedNet:] synonym: "ioduro de tridihexetilo" RELATED INN [WHO MedNet:] synonym: "3-cyclohexyl-N,N,N-triethyl-3-hydroxy-3-phenylpropan-1-aminium iodide" EXACT IUPAC_NAME [IUPAC:] synonym: "3-Diethylamino-1-cyclohexyl-1-phenyl-1-propanol ethiodide" RELATED [ChemIDplus:] synonym: "tridihexethyli iodidum" RELATED INN [WHO MedNet:] synonym: "3-Diethylamino-1-phenyl-1-cyclohexyl-1-propanol ethiodide" RELATED [ChemIDplus:] synonym: "tridihexethyl iodide" RELATED INN [WHO MedNet:] synonym: "Trihexethyl iodide" RELATED [ChemIDplus:] synonym: "Tridihexethyl iodide" EXACT [KEGG COMPOUND:] synonym: "1-Cyclohexyl-3-diethylamino-1-phenyl-1-propanol ethiodide" RELATED [ChemIDplus:] synonym: "alpha-(2-Diethylaminoethyl)-alpha-phenylcyclohexanemethanol ethiodide" RELATED [ChemIDplus:] synonym: "Propethonum iodide" RELATED [ChemIDplus:] synonym: "(3-Cyclohexyl-3-hydroxy-3-phenylpropyl)triethylammonium iodide" RELATED [ChemIDplus:] synonym: "C21H36NO.I" RELATED FORMULA [KEGG COMPOUND:] synonym: "[I-].CC[N+](CC)(CC)CCC(O)(C1CCCCC1)c1ccccc1" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C21H36NO.HI/c1-4-22(5-2,6-3)18-17-21(23,19-13-9-7-10-14-19)20-15-11-8-12-16-20;/h7,9-10,13-14,20,23H,4-6,8,11-12,15-18H2,1-3H3;1H/q+1;/p-1" RELATED InChI [ChEBI:] synonym: "InChIKey=VFEDLMLHAGASHB-UHFFFAOYSA-M" RELATED InChIKey [ChEBI:] xref: KEGG COMPOUND:C07862 "KEGG COMPOUND" xref: Beilstein:3802106 "Beilstein Registry Number" xref: ChemIDplus:125-99-5 "CAS Registry Number" xref: Patent:US2913494 "Patent" xref: DrugBank:DB00505 "DrugBank" is_a: CHEBI:50356 relationship: has_part CHEBI:9701 [Term] id: CHEBI:51222 name: YoYo-3 def: "An organic iodide salt that has formula C53H58I4N6O2." [] synonym: "1,1'-[3,7-bis(dimethyliminio)nonane-1,9-diyl]bis{4-[3-(3-methyl-1,3-benzoxazol-2(3H)-ylidene)prop-1-en-1-yl]quinolinium} tetraiodide" EXACT IUPAC_NAME [IUPAC:] synonym: "2,2'-{[3,7-bis(dimethyliminio)nonane-1,9-diyl]bis[quinolin-1-yl-4-ylideneprop-1-en-1-yl-3-ylidene]}bis(3-methyl-1,3-benzoxazol-3-ium) tetraiodide" EXACT IUPAC_NAME [IUPAC:] synonym: "C53H58I4N6O2" RELATED FORMULA [ChEBI:] synonym: "[I-].[I-].[I-].[I-].[H]C(=CC([H])=C1Oc2ccccc2N1C)c1cc[n+](CCC(CCCC(CC[n+]2ccc(C([H])=CC([H])=C3Oc4ccccc4N3C)c3ccccc23)=[N+](C)C)=[N+](C)C)c2ccccc12" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C53H58N6O2.4HI/c1-54(2)42(34-38-58-36-32-40(44-22-7-9-24-46(44)58)18-15-30-52-56(5)48-26-11-13-28-50(48)60-52)20-17-21-43(55(3)4)35-39-59-37-33-41(45-23-8-10-25-47(45)59)19-16-31-53-57(6)49-27-12-14-29-51(49)61-53;;;;/h7-16,18-19,22-33,36-37H,17,20-21,34-35,38-39H2,1-6H3;4*1H/q+4;;;;/p-4" RELATED InChI [ChEBI:] synonym: "InChIKey=JSBNEYNPYQFYNM-UHFFFAOYSA-J" RELATED InChIKey [ChEBI:] xref: ChemIDplus:156312-20-8 "CAS Registry Number" is_a: CHEBI:50356 relationship: has_role CHEBI:51217 is_a: CHEBI:37960 relationship: has_part CHEBI:52948 [Term] id: CHEBI:51224 name: YoYo-1 def: "An organic iodide salt that has formula C49H58I4N6O2." [] synonym: "1,1'-{propane-1,3-diylbis[(dimethylazaniumdiyl)propane-3,1-diyl]}bis{4-[(3-methyl-1,3-benzoxazol-2(3H)-ylidene)methyl]quinolinium} tetraiodide" EXACT IUPAC_NAME [IUPAC:] synonym: "1,1'-(1,3-propanediylbis((dimethyliminio)-3,1-propanediyl))bis(4-(3-methyl-2(3H)-benzoxazolylidene)methyl)quinolinium tetraiodide" RELATED [ChemIDplus:] synonym: "1,1'-((4,4,7,7-tetramethyl)-4,7-diazaundecamethylene)bis-4-(3-methyl-2,3-dihydro(benzo-1,3-oxazole)-2-methylidene)quinolinium tetraiodide" RELATED [ChemIDplus:] synonym: "1,1'-(4,4,7,7-tetramethyl-4,7-diazaundecamethylene)-bis-4-(3-methyl-2,3-dihydro-(benzo-1,3-oxazole)-2-methylidene)-quinolinium tetraiodide" RELATED [ChemIDplus:] synonym: "2,2'-{propane-1,3-diylbis[(dimethylazaniumdiyl)propane-3,1-diylquinolin-1-yl-4-ylidenemethylylidene]}bis(3-methyl-1,3-benzoxazol-3-ium) tetraiodide" EXACT IUPAC_NAME [IUPAC:] synonym: "N,N,N',N'-tetramethyl-N,N'-bis(3-(4-((3-methyl-2(3H)-benzoxazolylidene)methyl)quinolinium-1-yl)propyl)1,3-propanediaminium tetraiodide" RELATED [ChemIDplus:] synonym: "C49H58I4N6O2" RELATED FORMULA [ChEBI:] synonym: "[I-].[I-].[I-].[I-].[H]C(=C1Oc2ccccc2N1C)c1cc[n+](CCC[N+](C)(C)CCC[N+](C)(C)CCC[n+]2ccc(C([H])=C3Oc4ccccc4N3C)c3ccccc23)c2ccccc12" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C49H58N6O2.4HI/c1-50-44-22-11-13-24-46(44)56-48(50)36-38-26-30-52(42-20-9-7-18-40(38)42)28-15-32-54(3,4)34-17-35-55(5,6)33-16-29-53-31-27-39(41-19-8-10-21-43(41)53)37-49-51(2)45-23-12-14-25-47(45)57-49;;;;/h7-14,18-27,30-31,36-37H,15-17,28-29,32-35H2,1-6H3;4*1H/q+4;;;;/p-4" RELATED InChI [ChEBI:] synonym: "InChIKey=GRRMZXFOOGQMFA-UHFFFAOYSA-J" RELATED InChIKey [ChEBI:] xref: ChemIDplus:143413-85-8 "CAS Registry Number" is_a: CHEBI:50356 relationship: has_role CHEBI:51217 is_a: CHEBI:37960 relationship: has_part CHEBI:52947 [Term] id: CHEBI:51225 name: Yo-Pro-1 def: "An unsymmetrical C1 cyanine dye having 1,3-benzoxazol-2-yl and quinolinium-4-yl substituents." [] synonym: "YO-Pro-1" EXACT [ChemIDplus:] synonym: "4-((3-methyl-2(3H)-benzoxazolylidene)methyl)-1-(3-(trimethylammonio)propyl)quinolinium diiodide" RELATED [ChemIDplus:] synonym: "4-[(3-methyl-1,3-benzoxazol-2(3H)-ylidene)methyl]-1-[3-(trimethylammonio)propyl]quinolinium diiodide" EXACT IUPAC_NAME [IUPAC:] synonym: "3-methyl-2-[{1-[3-(trimethylammonio)propyl]quinolin-4(1H)-ylidene}methyl]-1,3-benzoxazol-3-ium diiodide" EXACT IUPAC_NAME [IUPAC:] synonym: "C24H29I2N3O" RELATED FORMULA [ChEBI:] synonym: "[I-].[I-].[H]C(=C1Oc2ccccc2N1C)c1cc[n+](CCC[N+](C)(C)C)c2ccccc12" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C24H29N3O.2HI/c1-25-22-12-7-8-13-23(22)28-24(25)18-19-14-16-26(15-9-17-27(2,3)4)21-11-6-5-10-20(19)21;;/h5-8,10-14,16,18H,9,15,17H2,1-4H3;2*1H/q+2;;/p-2" RELATED InChI [ChEBI:] synonym: "InChIKey=ULHRKLSNHXXJLO-UHFFFAOYSA-L" RELATED InChIKey [ChEBI:] xref: ChemIDplus:152068-09-2 "CAS Registry Number" is_a: CHEBI:50356 relationship: has_role CHEBI:51217 is_a: CHEBI:37960 is_a: CHEBI:35273 relationship: has_part CHEBI:52936 [Term] id: CHEBI:51240 name: propidium iodide def: "An organic iodide salt that has formula C27H34I2N4." [] synonym: "3,8-diamino-5-(3-(diethylmethylammonio)propyl)-6-phenylphenanthridinium diiodide" RELATED [ChemIDplus:] synonym: "3,8-diamino-5-{3-[diethyl(methyl)ammonio]propyl}-6-phenylphenanthridinium diiodide" EXACT IUPAC_NAME [IUPAC:] synonym: "propidium diiodide" RELATED [ChemIDplus:] synonym: "C27H34I2N4" RELATED FORMULA [ChEBI:] synonym: "[I-].[I-].CC[N+](C)(CC)CCC[n+]1c(-c2ccccc2)c2cc(N)ccc2c2ccc(N)cc12" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C27H33N4.2HI/c1-4-31(3,5-2)17-9-16-30-26-19-22(29)13-15-24(26)23-14-12-21(28)18-25(23)27(30)20-10-7-6-8-11-20;;/h6-8,10-15,18-19,29H,4-5,9,16-17,28H2,1-3H3;2*1H/q+1;;/p-1" RELATED InChI [ChEBI:] synonym: "InChIKey=XJMOSONTPMZWPB-UHFFFAOYSA-M" RELATED InChIKey [ChEBI:] xref: Beilstein:3843838 "Beilstein Registry Number" xref: ChemIDplus:25535-16-4 "CAS Registry Number" is_a: CHEBI:50356 relationship: has_part CHEBI:51246 [Term] id: CHEBI:51502 name: cryptocyanin def: "An organic iodide salt that has formula C25H25N2.I." [] synonym: "1-ethyl-4-[3-(1-ethylquinolin-4(1H)-ylidene)prop-1-en-1-yl]quinolinium iodide" EXACT IUPAC_NAME [IUPAC:] synonym: "1,1'-Diethyl-4,4'-carbocyanine iodide" RELATED [ChemIDplus:] synonym: "1,1'-Diethyl-4,4'-quinocarbocyanine iodide" RELATED [ChemIDplus:] synonym: "Kryptocyanine" RELATED [ChemIDplus:] synonym: "Cryptocyanine iodide" RELATED [ChemIDplus:] synonym: "Kryptocyanine iodide" RELATED [ChemIDplus:] synonym: "Cryptocyanine" RELATED [ChEBI:] synonym: "1,1'-Diethylquino-(4)-carbocyanine iodide" RELATED [ChemIDplus:] synonym: "Kryptocyanin" RELATED [ChemIDplus:] synonym: "C25H25N2.I" RELATED FORMULA [ChemIDplus:] synonym: "[I-].[H]C(=C([H])c1cc[n+](CC)c2ccccc12)C([H])=C1C=CN(CC)c2ccccc12" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C25H25N2.HI/c1-3-26-18-16-20(22-12-5-7-14-24(22)26)10-9-11-21-17-19-27(4-2)25-15-8-6-13-23(21)25;/h5-19H,3-4H2,1-2H3;1H/q+1;/p-1" RELATED InChI [ChEBI:] synonym: "InChIKey=CEJANLKHJMMNQB-UHFFFAOYSA-M" RELATED InChIKey [ChEBI:] xref: ChemIDplus:4727-50-8 "CAS Registry Number" xref: NIST Chemistry WebBook:4727-50-8 "CAS Registry Number" xref: Beilstein:4116840 "Beilstein Registry Number" is_a: CHEBI:26513 is_a: CHEBI:50356 relationship: has_role CHEBI:51217 relationship: has_part CHEBI:52786 [Term] id: CHEBI:228275 name: dithiazanine iodide alt_id: CHEBI:51900 alt_id: CHEBI:51606 def: "An organic iodide salt that has formula C23H23N2S2.I." [] synonym: "C5-thiacyanine" RELATED [ChEBI:] synonym: "Thiadicarbocyanine (C5) dye" RELATED [ChEBI:] synonym: "3-ethyl-2-[5-(3-ethyl-1,3-benzothiazol-2(3H)-ylidene)penta-1,3-dien-1-yl]-1,3-benzothiazol-3-ium iodide" EXACT IUPAC_NAME [IUPAC:] synonym: "3,3'-Diethyl-2,2'-thiadicarbocyanine iodide" RELATED [ChemIDplus:] synonym: "(2-Bis(3-ethylbenzothiazolyl))pentamethine cyanine iodide" RELATED [ChemIDplus:] synonym: "3,3'-Diethylthiadicarbocyanine iodide" RELATED [ChemIDplus:] synonym: "dithiazanine iodide" RELATED INN [WHO MedNet:] synonym: "dithiazanini iodidum" RELATED INN [WHO MedNet:] synonym: "Diethylthiadicarbocyanine iodide" RELATED [ChemIDplus:] synonym: "iodure de dithiazanine" RELATED INN [WHO MedNet:] synonym: "3,3'-Diethyldithiacarbodicyanine iodide" RELATED [ChemIDplus:] synonym: "3,3'-Diethylpentamethinethiacyanine iodide" RELATED [ChemIDplus:] synonym: "3-Ethyl-2-(5-(3-ethyl-2-benzothiazolinylidene)-1,3-pentadienyl)benzothiazolium iodide" RELATED [ChemIDplus:] synonym: "ioduro de ditiazanina" RELATED INN [WHO MedNet:] synonym: "C23H23N2S2.I" RELATED FORMULA [ChEBI:] synonym: "C23H23N2S2.I" RELATED FORMULA [ChemIDplus:] synonym: "[I-].[H]C(=C([H])C([H])=C1Sc2ccccc2N1CC)C([H])=C([H])c1sc2ccccc2[n+]1CC" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C23H23N2S2.HI/c1-3-24-18-12-8-10-14-20(18)26-22(24)16-6-5-7-17-23-25(4-2)19-13-9-11-15-21(19)27-23;/h5-17H,3-4H2,1-2H3;1H/q+1;/p-1" RELATED InChI [ChEBI:] synonym: "InChIKey=MNQDKWZEUULFPX-UHFFFAOYSA-M" RELATED InChIKey [ChEBI:] xref: Reaxys:3838938 "Reaxys Registry Number" xref: Wikipedia:Dithiazanine_iodide "Wikipedia" xref: Beilstein:3838938 "Beilstein Registry Number" xref: ChemIDplus:514-73-8 "CAS Registry Number" is_a: CHEBI:50356 is_a: CHEBI:37947 relationship: has_role CHEBI:51217 relationship: has_role CHEBI:35443 relationship: has_part CHEBI:52787 [Term] id: CHEBI:51607 name: Yo-Pro-3 def: "An unsymmetrical C3 cyanine dye having 1,3-benzoxazol-2-yl and quinolinium-4-yl substituents." [] synonym: "YO-PRO-3 iodide" RELATED [ChEBI:] synonym: "4-[3-(3-methyl-1,3-benzoxazol-2(3H)-ylidene)prop-1-en-1-yl]-1-[3-(trimethylammonio)propyl]quinolinium diiodide" EXACT IUPAC_NAME [IUPAC:] synonym: "3-methyl-2-(3-{1-[3-(trimethylammonio)propyl]quinolin-4(1H)-ylidene}prop-1-en-1-yl)-1,3-benzoxazol-3-ium diiodide" EXACT IUPAC_NAME [IUPAC:] synonym: "C26H31I2N3O" RELATED FORMULA [ChEBI:] synonym: "[I-].[I-].[H]C(=Cc1oc2ccccc2[n+]1C)C([H])=C1C=CN(CCC[N+](C)(C)C)c2ccccc12" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C26H31N3O.2HI/c1-27-24-14-7-8-15-25(24)30-26(27)16-9-11-21-17-19-28(18-10-20-29(2,3)4)23-13-6-5-12-22(21)23;;/h5-9,11-17,19H,10,18,20H2,1-4H3;2*1H/q+2;;/p-2" RELATED InChI [ChEBI:] synonym: "InChIKey=ZVUUXEGAYWQURQ-UHFFFAOYSA-L" RELATED InChIKey [ChEBI:] is_a: CHEBI:51548 is_a: CHEBI:50356 is_a: CHEBI:47704 is_a: CHEBI:37960 is_a: CHEBI:26513 relationship: has_role CHEBI:51217 relationship: has_part CHEBI:52946 [Term] id: CHEBI:51600 name: 2-[4-(dimethylamino)styryl]-1-methylpyridinium iodide def: "A pyridinium salt that has formula C16H19IN2." [] synonym: "2-(4-(dimethylamino)styryl)-1-methylpyridinium" RELATED [ChemIDplus:] synonym: "2-{(E)-2-[4-(dimethylamino)phenyl]ethenyl}-1-methylpyridinium iodide" EXACT IUPAC_NAME [IUPAC:] synonym: "DASPI" RELATED [ChemIDplus:] synonym: "2-{(E)-2-[4-(dimethylamino)phenyl]vinyl}-1-methylpyridinium iodide" RELATED [IUPAC:] synonym: "2M2PM" RELATED [ChemIDplus:] synonym: "2-Di-1-ASP" RELATED [ChEBI:] synonym: "2-[p-(dimethylamino)styryl]-1-methylpyridinium iodide" RELATED [NIST Chemistry WebBook:] synonym: "C16H19IN2" RELATED FORMULA [NIST Chemistry WebBook:] synonym: "[I-].CN(C)c1ccc(cc1)\\C=C\\c1cccc[n+]1C" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C16H19N2.HI/c1-17(2)15-10-7-14(8-11-15)9-12-16-6-4-5-13-18(16)3;/h4-13H,1-3H3;1H/q+1;/p-1" RELATED InChI [ChEBI:] synonym: "InChIKey=XPOIQAIBZGSIDD-UHFFFAOYSA-M" RELATED InChIKey [ChEBI:] xref: Beilstein:3776369 "Beilstein Registry Number" xref: ChemIDplus:2156-29-8 "CAS Registry Number" xref: NIST Chemistry WebBook:2156-29-8 "CAS Registry Number" is_a: CHEBI:38188 is_a: CHEBI:32876 relationship: has_role CHEBI:51217 is_a: CHEBI:50356 relationship: has_part CHEBI:52783 [Term] id: CHEBI:51474 name: FUN-1 def: "Halogenated cyanine compound that binds nucleic acids." [] synonym: "2-chloro-4-[(3-methyl-1,3-benzothiazol-2(3H)-ylidene)methyl]-1-phenylquinolinium iodide" EXACT IUPAC_NAME [IUPAC:] synonym: "2-[(2-chloro-1-phenylquinolin-4(1H)-ylidene)methyl]-3-methyl-1,3-benzothiazol-3-ium iodide" EXACT IUPAC_NAME [IUPAC:] synonym: "C24H18ClIN2S" RELATED FORMULA [ChEBI:] synonym: "[I-].[H]C(=C1C=C(Cl)N(c2ccccc2)c2ccccc12)c1sc2ccccc2[n+]1C" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C24H18ClN2S.HI/c1-26-21-13-7-8-14-22(21)28-24(26)16-17-15-23(25)27(18-9-3-2-4-10-18)20-12-6-5-11-19(17)20;/h2-16H,1H3;1H/q+1;/p-1" RELATED InChI [ChEBI:] synonym: "InChIKey=DSIFMINXCSHZPQ-UHFFFAOYSA-M" RELATED InChIKey [ChEBI:] xref: Beilstein:9029254 "Beilstein Registry Number" relationship: has_role CHEBI:51217 is_a: CHEBI:50356 is_a: CHEBI:37960 [Term] id: CHEBI:51878 name: BoBo-1 def: "An organic iodide salt that has formula C41H54I4N6S2." [] synonym: "2,2'-{propane-1,3-diylbis[(dimethylazaniumdiyl)propane-3,1-diylpyridin-1-yl-4-ylidenemethylylidene]}bis(3-methyl-1,3-benzothiazol-3-ium) tetraiodide" EXACT IUPAC_NAME [IUPAC:] synonym: "C41H54I4N6S2" RELATED FORMULA [ChEBI:] synonym: "[I-].[I-].[I-].[I-].[H]C(=C1C=CN(CCC[N+](C)(C)CCC[N+](C)(C)CCCN2C=CC(C=C2)=C([H])c2sc3ccccc3[n+]2C)C=C1)c1sc2ccccc2[n+]1C" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C41H54N6S2.4HI/c1-42-36-14-7-9-16-38(36)48-40(42)32-34-18-24-44(25-19-34)22-11-28-46(3,4)30-13-31-47(5,6)29-12-23-45-26-20-35(21-27-45)33-41-43(2)37-15-8-10-17-39(37)49-41;;;;/h7-10,14-21,24-27,32-33H,11-13,22-23,28-31H2,1-6H3;4*1H/q+4;;;;/p-4" RELATED InChI [ChEBI:] synonym: "InChIKey=TYBKADJAOBUHAD-UHFFFAOYSA-J" RELATED InChIKey [ChEBI:] is_a: CHEBI:50356 relationship: has_role CHEBI:51217 is_a: CHEBI:37960 relationship: has_part CHEBI:52802 [Term] id: CHEBI:51882 name: BoBo-3 def: "An organic iodide salt that has formula C45H58I4N6S2." [] synonym: "2,2'-{propane-1,3-diylbis[(dimethylazaniumdiyl)propane-3,1-diylpyridin-1-yl-4-ylideneprop-1-en-1-yl-3-ylidene]}bis(3-methyl-1,3-benzothiazol-3-ium) tetraiodide" EXACT IUPAC_NAME [IUPAC:] synonym: "C45H58I4N6S2" RELATED FORMULA [ChEBI:] synonym: "[I-].[I-].[I-].[I-].[H]C(=C([H])c1sc2ccccc2[n+]1C)C([H])=C1C=CN(CCC[N+](C)(C)CCC[N+](C)(C)CCCN2C=CC(C=C2)=C([H])C([H])=C([H])c2sc3ccccc3[n+]2C)C=C1" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C45H58N6S2.4HI/c1-46-40-18-7-9-20-42(40)52-44(46)22-11-16-38-24-30-48(31-25-38)28-13-34-50(3,4)36-15-37-51(5,6)35-14-29-49-32-26-39(27-33-49)17-12-23-45-47(2)41-19-8-10-21-43(41)53-45;;;;/h7-12,16-27,30-33H,13-15,28-29,34-37H2,1-6H3;4*1H/q+4;;;;/p-4" RELATED InChI [ChEBI:] synonym: "InChIKey=UIZZRDIAIPYKJZ-UHFFFAOYSA-J" RELATED InChIKey [ChEBI:] is_a: CHEBI:50356 relationship: has_role CHEBI:51217 is_a: CHEBI:37960 relationship: has_part CHEBI:52803 [Term] id: CHEBI:51898 name: C5-indocyanine def: "A C5 cyanine dye having 1-ethyl-3,3-dimethylindoleinine units at each end." [] synonym: "1-ethyl-2-[5-(1-ethyl-3,3-dimethyl-1,3-dihydro-2H-indol-2-ylidene)penta-1,3-dien-1-yl]-3,3-dimethyl-3H-indolium iodide" EXACT IUPAC_NAME [IUPAC:] synonym: "Indodicarbocyanine (C5)dye" RELATED [ChEBI:] synonym: "C5_DI (C5-di-indolenine)" RELATED [ChEBI:] synonym: "C29H35N2.I" RELATED FORMULA [ChEBI:] synonym: "[I-].[H]C(=C([H])C([H])=C1N(CC)c2ccccc2C1(C)C)C([H])=C([H])C1=[N+](CC)c2ccccc2C1(C)C" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C29H35N2.HI/c1-7-30-24-18-14-12-16-22(24)28(3,4)26(30)20-10-9-11-21-27-29(5,6)23-17-13-15-19-25(23)31(27)8-2;/h9-21H,7-8H2,1-6H3;1H/q+1;/p-1" RELATED InChI [ChEBI:] synonym: "InChIKey=IWHSKYHCPUDDMY-UHFFFAOYSA-M" RELATED InChIKey [ChEBI:] relationship: has_role CHEBI:51217 is_a: CHEBI:50356 is_a: CHEBI:37989 relationship: has_part CHEBI:52807 [Term] id: CHEBI:51899 name: C5-oxacyanine def: "A 1,3-benzoxazole that has formula C23H23IN2O2." [] synonym: "Oxadicarbocyanine (C5) dye" RELATED [ChEBI:] synonym: "3-ethyl-2-[5-(3-ethyl-1,3-benzoxazol-2(3H)-ylidene)penta-1,3-dien-1-yl]-1,3-benzoxazol-3-ium iodide" EXACT IUPAC_NAME [IUPAC:] synonym: "C23H23IN2O2" RELATED FORMULA [ChEBI:] synonym: "[I-].[H]C(=CC([H])=C1Oc2ccccc2N1CC)C([H])=Cc1oc2ccccc2[n+]1CC" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C23H23N2O2.HI/c1-3-24-18-12-8-10-14-20(18)26-22(24)16-6-5-7-17-23-25(4-2)19-13-9-11-15-21(19)27-23;/h5-17H,3-4H2,1-2H3;1H/q+1;/p-1" RELATED InChI [ChEBI:] synonym: "InChIKey=CLDZYSUDOQXJOU-UHFFFAOYSA-M" RELATED InChIKey [ChEBI:] is_a: CHEBI:37960 is_a: CHEBI:50356 relationship: has_role CHEBI:51217 is_a: CHEBI:51548 relationship: has_part CHEBI:52805 [Term] id: CHEBI:51901 name: C7-indocyanine def: "A C7 cyanine dye having 1-ethyl-3,3-dimethylindoleinine units at each end." [] synonym: "Indotricarbocyanine (C7) dye" RELATED [ChEBI:] synonym: "1-ethyl-2-[7-(1-ethyl-3,3-dimethyl-1,3-dihydro-2H-indol-2-ylidene)hepta-1,3,5-trien-1-yl]-3,3-dimethyl-3H-indolium iodide" EXACT IUPAC_NAME [IUPAC:] synonym: "C31H37IN2" RELATED FORMULA [ChEBI:] synonym: "[I-].[H]C(=CC([H])=CC([H])=C1N(CC)c2ccccc2C1(C)C)C=C([H])C1=[N+](CC)c2ccccc2C1(C)C" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C31H37N2.HI/c1-7-32-26-20-16-14-18-24(26)30(3,4)28(32)22-12-10-9-11-13-23-29-31(5,6)25-19-15-17-21-27(25)33(29)8-2;/h9-23H,7-8H2,1-6H3;1H/q+1;/p-1" RELATED InChI [ChEBI:] synonym: "InChIKey=MOCQTYXDGSDJGM-UHFFFAOYSA-M" RELATED InChIKey [ChEBI:] is_a: CHEBI:50356 is_a: CHEBI:37960 relationship: has_role CHEBI:51217 relationship: has_part CHEBI:52813 [Term] id: CHEBI:52033 name: diIC18(7) dye def: "An organic iodide salt that has formula C63H101IN2." [] synonym: "1,1'-dioctadecyl-3,3,3',3'-tetramethylindotricarbocyanine iodide" RELATED [ChEBI:] synonym: "DiR" RELATED [ChEBI:] synonym: "2-[7-(3,3-dimethyl-1-octadecyl-1,3-dihydro-2H-indol-2-ylidene)hepta-1,3,5-trien-1-yl]-3,3-dimethyl-1-octadecyl-3H-indolium iodide" EXACT IUPAC_NAME [IUPAC:] synonym: "C63H101IN2" RELATED FORMULA [ChEBI:] synonym: "[I-].[H]C(=C([H])C([H])=C([H])C1=[N+](CCCCCCCCCCCCCCCCCC)c2ccccc2C1(C)C)C([H])=C([H])C([H])=C1N(CCCCCCCCCCCCCCCCCC)c2ccccc2C1(C)C" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C63H101N2.HI/c1-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38-46-54-64-58-50-44-42-48-56(58)62(3,4)60(64)52-40-36-35-37-41-53-61-63(5,6)57-49-43-45-51-59(57)65(61)55-47-39-34-32-30-28-26-24-22-20-18-16-14-12-10-8-2;/h35-37,40-45,48-53H,7-34,38-39,46-47,54-55H2,1-6H3;1H/q+1;/p-1" RELATED InChI [ChEBI:] synonym: "InChIKey=JLIOTPLALDYAEH-UHFFFAOYSA-M" RELATED InChIKey [ChEBI:] is_a: CHEBI:50356 relationship: has_functional_parent CHEBI:51901 relationship: has_role CHEBI:51217 relationship: has_part CHEBI:52820 [Term] id: CHEBI:52718 name: Cy7 dye def: "A C7-cyanine dye having differentially-substituted 2-indolyl units at each end." [] synonym: "1-(5-carboxypentyl)-2-[7-(1-ethyl-5-sulfo-1,3-dihydro-2H-indol-2-ylidene)hepta-1,3,5-trien-1-yl]-3H-indolium-5-sulfonate" EXACT IUPAC_NAME [IUPAC:] synonym: "2-{7-[1-(5-carboxypentyl)-5-sulfo-1,3-dihydro-2H-indol-2-ylidene]hepta-1,3,5-trien-1-yl}-1-ethyl-3H-indolium-5-sulfonate" EXACT IUPAC_NAME [IUPAC:] synonym: "C31H34N2O8S2" RELATED FORMULA [ChEBI:] synonym: "[H]C(=CC([H])=CC([H])=C1Cc2cc(ccc2N1CC)S(O)(=O)=O)C=C([H])C1=[N+](CCCCCC(O)=O)c2ccc(cc2C1)S([O-])(=O)=O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C31H34N2O8S2/c1-2-32-25(19-23-21-27(42(36,37)38)14-16-29(23)32)11-7-4-3-5-8-12-26-20-24-22-28(43(39,40)41)15-17-30(24)33(26)18-10-6-9-13-31(34)35/h3-5,7-8,11-12,14-17,21-22H,2,6,9-10,13,18-20H2,1H3,(H2-,34,35,36,37,38,39,40,41)" RELATED InChI [ChEBI:] synonym: "InChIKey=LOPCOKFMJOYXHI-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] is_a: CHEBI:37960 relationship: has_role CHEBI:51217 relationship: has_functional_parent CHEBI:51901 [Term] id: CHEBI:59529 name: omocianine def: "A C7-cyanine dye having symmetrically-substituted 2-indolyl units at each end." [] synonym: "2-{4-methyl-7-[5-sulfo-1-(2-sulfoethyl)-1,3-dihydro-2H-indol-2-ylidene]hepta-1,3,5-trien-1-yl}-1-(2-sulfoethyl)-3H-indolium-5-sulfonate" EXACT IUPAC_NAME [IUPAC:] synonym: "omocianine" RELATED INN [ChemIDplus:] synonym: "C28H30N2O12S4" RELATED FORMULA [ChEBI:] synonym: "[H]C(=CC([H])=C1Cc2cc(ccc2N1CCS(O)(=O)=O)S(O)(=O)=O)C(C)=C([H])C=C([H])C1=[N+](CCS(O)(=O)=O)c2ccc(cc2C1)S([O-])(=O)=O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C28H30N2O12S4/c1-20(4-2-6-23-16-21-18-25(45(37,38)39)8-10-27(21)29(23)12-14-43(31,32)33)5-3-7-24-17-22-19-26(46(40,41)42)9-11-28(22)30(24)13-15-44(34,35)36/h2-11,18-19H,12-17H2,1H3,(H3-,31,32,33,34,35,36,37,38,39,40,41,42)" RELATED InChI [ChEBI:] synonym: "InChIKey=DVLPLZZIPHZCHO-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: CiteXplore:18241888 "PubMed citation" xref: ChemIDplus:154082-13-0 "CAS Registry Number" xref: PDB:2JB5 "PDB" is_a: CHEBI:37960 relationship: has_functional_parent CHEBI:51901 relationship: has_role CHEBI:51217 [Term] id: CHEBI:51902 name: C7-oxacyanine def: "A C7 cyanine dye having 3-ethyl-1,3-benzoxazol-2(3H)-yl units at each end." [] synonym: "3-ethyl-2-[7-(3-ethyl-1,3-benzoxazol-2(3H)-ylidene)hepta-1,3,5-trien-1-yl]-1,3-benzoxazol-3-ium iodide" EXACT IUPAC_NAME [IUPAC:] synonym: "C25H25IN2O2" RELATED FORMULA [ChEBI:] synonym: "[I-].[H]C(=CC([H])=CC([H])=C1Oc2ccccc2N1CC)C=C([H])c1oc2ccccc2[n+]1CC" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C25H25N2O2.HI/c1-3-26-20-14-10-12-16-22(20)28-24(26)18-8-6-5-7-9-19-25-27(4-2)21-15-11-13-17-23(21)29-25;/h5-19H,3-4H2,1-2H3;1H/q+1;/p-1" RELATED InChI [ChEBI:] synonym: "InChIKey=UZLDSPSTABQEQP-UHFFFAOYSA-M" RELATED InChIKey [ChEBI:] is_a: CHEBI:37960 is_a: CHEBI:50356 is_a: CHEBI:51548 relationship: has_role CHEBI:51217 relationship: has_part CHEBI:52814 [Term] id: CHEBI:52024 name: 4-(4-dihexadecylaminostyryl)-N-methylpyridium iodide def: "A pyridinium salt that has formula C46H79N2.I." [] synonym: "4-Di-16-ASP" RELATED [ChEBI:] synonym: "DiA" RELATED [ChemIDplus:] synonym: "4-(4-Dihexadecylaminostyryl)N-methylpyridium, iodide" RELATED [ChemIDplus:] synonym: "4-{2-[4-(dihexadecylamino)phenyl]ethenyl}-1-methylpyridinium iodide" EXACT IUPAC_NAME [IUPAC:] synonym: "4-{2-[4-(dihexadecylamino)phenyl]vinyl}-1-methylpyridinium iodide" RELATED [IUPAC:] synonym: "DIASP" RELATED [ChemIDplus:] synonym: "C46H79N2.I" RELATED FORMULA [ChemIDplus:] synonym: "C46H79IN2" RELATED FORMULA [ChEBI:] synonym: "[I-].[H]C(=C([H])c1cc[n+](C)cc1)c1ccc(cc1)N(CCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCC" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C46H79N2.HI/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-40-48(41-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2)46-36-34-44(35-37-46)32-33-45-38-42-47(3)43-39-45;/h32-39,42-43H,4-31,40-41H2,1-3H3;1H/q+1;/p-1" RELATED InChI [ChEBI:] synonym: "InChIKey=YPGZWUVVEWKKDQ-UHFFFAOYSA-M" RELATED InChIKey [ChEBI:] xref: ChemIDplus:114041-00-8 "CAS Registry Number" is_a: CHEBI:50356 is_a: CHEBI:38188 relationship: has_role CHEBI:51217 relationship: has_part CHEBI:52816 [Term] id: CHEBI:52781 name: C3-oxacyanine alt_id: CHEBI:52034 alt_id: CHEBI:51894 def: "A C3 cyanine dye having 3-ethyl-1,3-benzoxazol-2(3H)-yl units at each end." [] synonym: "DOCI dye" RELATED [ChEBI:] synonym: "3,3'-Diethyloxacarbocyanine iodide" RELATED [ChemIDplus:] synonym: "C3-Oxacyanine" EXACT [ChEBI:] synonym: "3,3'-Diethyl-2,2'-oxadicarbocyanine iodide" RELATED [ChemIDplus:] synonym: "3-ethyl-2-[3-(3-ethyl-1,3-benzoxazol-2(3H)-ylidene)prop-1-en-1-yl]-1,3-benzoxazol-3-ium iodide" EXACT IUPAC_NAME [IUPAC:] synonym: "CYA1 [3,3-diethyloxacarbo]" RELATED [ChEBI:] synonym: "Oxacarbocyanine (C3)" RELATED [ChEBI:] synonym: "C21H21IN2O2" RELATED FORMULA [ChEBI:] synonym: "[I-].[H]C(=CC([H])=C1Oc2ccccc2N1CC)c1oc2ccccc2[n+]1CC" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C21H21N2O2.HI/c1-3-22-16-10-5-7-12-18(16)24-20(22)14-9-15-21-23(4-2)17-11-6-8-13-19(17)25-21;/h5-15H,3-4H2,1-2H3;1H/q+1;/p-1" RELATED InChI [ChEBI:] synonym: "InChIKey=FIZZUEJIOKEFFZ-UHFFFAOYSA-M" RELATED InChIKey [ChEBI:] xref: ChemIDplus:905-96-4 "CAS Registry Number" xref: Beilstein:3898542 "Beilstein Registry Number" relationship: has_part CHEBI:52812 is_a: CHEBI:50356 is_a: CHEBI:37960 is_a: CHEBI:51548 relationship: has_role CHEBI:51217 [Term] id: CHEBI:52097 name: 1,1',3,3'-tetraethyl-5,5',6,6'-tetrachloroimidacarbocyanine iodide def: "An organic iodide salt that has formula C25H27Cl4IN4." [] synonym: "Bis(5,6-dichloro-1,3-diethyl-2-benzimidazole)trimethinecyanine iodide" RELATED [ChemIDplus:] synonym: "JC-1" RELATED [ChemIDplus:] synonym: "5,6-Dichloro-2-(3-(5,6-dichloro-1,3-diethyl-2-benzimidazolinylidene)propenyl)-1,3-diethylbenzimidazolium iodide" RELATED [ChemIDplus:] synonym: "JC1 dye" RELATED [ChEBI:] synonym: "5,6-dichloro-2-[3-(5,6-dichloro-1,3-diethyl-1,3-dihydro-2H-benzimidazol-2-ylidene)prop-1-en-1-yl]-1,3-diethyl-1H-3,1-benzimidazol-3-ium iodide" EXACT IUPAC_NAME [IUPAC:] synonym: "1,1',3,3'-Tetraethyl-5,5',6,6'-tetrachlorobenzimidazolocarbocyanine iodide" RELATED [ChemIDplus:] synonym: "C25H27Cl4IN4" RELATED FORMULA [ChEBI:] synonym: "[I-].[H]C(=CC([H])=C1N(CC)c2cc(Cl)c(Cl)cc2N1CC)c1n(CC)c2cc(Cl)c(Cl)cc2[n+]1CC" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C25H27Cl4N4.HI/c1-5-30-20-12-16(26)17(27)13-21(20)31(6-2)24(30)10-9-11-25-32(7-3)22-14-18(28)19(29)15-23(22)33(25)8-4;/h9-15H,5-8H2,1-4H3;1H/q+1;/p-1" RELATED InChI [ChEBI:] synonym: "InChIKey=FYNNIUVBDKICAX-UHFFFAOYSA-M" RELATED InChIKey [ChEBI:] xref: ChemIDplus:3520-43-2 "CAS Registry Number" xref: Beilstein:6110369 "Beilstein Registry Number" is_a: CHEBI:37960 is_a: CHEBI:50356 relationship: has_role CHEBI:51217 relationship: has_part CHEBI:52862 [Term] id: CHEBI:52098 name: JOJO-1 dye def: "An organic iodide salt that has formula C47H56I4N8O2." [] synonym: "2,2'-{propane-1,3-diylbis[(dimethylammonio)propane-3,1-diylquinolin-1-yl-4-ylidenemethylylidene]}bis(4-methyl[1,3]oxazolo[4,5-b]pyridin-4-ium) tetraiodide" EXACT IUPAC_NAME [IUPAC:] synonym: "C47H56I4N8O2" RELATED FORMULA [ChEBI:] synonym: "[I-].[I-].[I-].[I-].[H]C(c1nc2[n+](C)cccc2o1)=C1C=CN(CCC[N+](C)(C)CCC[N+](C)(C)CCCN2C=CC(=C([H])c3nc4[n+](C)cccc4o3)c3ccccc23)c2ccccc12" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C47H56N8O2.4HI/c1-50-24-11-20-42-46(50)48-44(56-42)34-36-22-28-52(40-18-9-7-16-38(36)40)26-13-30-54(3,4)32-15-33-55(5,6)31-14-27-53-29-23-37(39-17-8-10-19-41(39)53)35-45-49-47-43(57-45)21-12-25-51(47)2;;;;/h7-12,16-25,28-29,34-35H,13-15,26-27,30-33H2,1-6H3;4*1H/q+4;;;;/p-4" RELATED InChI [ChEBI:] synonym: "InChIKey=RUYSLLNKJLKJDL-UHFFFAOYSA-J" RELATED InChIKey [ChEBI:] is_a: CHEBI:50356 relationship: has_role CHEBI:51217 relationship: has_part CHEBI:52863 [Term] id: CHEBI:52103 name: LoLo-1 dye def: "An organic iodide salt that has formula C47H54Br2I4N8S2." [] synonym: "LOLO-1 iodide" RELATED [ChEBI:] synonym: "2,2'-{propane-1,3-diylbis[(dimethylammonio)propane-3,1-diylquinolin-1-yl-4-ylidenemethylylidene]}bis(6-bromo-4-methyl[1,3]thiazolo[4,5-b]pyridin-4-ium) tetraiodide" EXACT IUPAC_NAME [IUPAC:] synonym: "C47H54Br2I4N8S2" RELATED FORMULA [ChEBI:] synonym: "[I-].[I-].[I-].[I-].[H]C(c1nc2[n+](C)cc(Br)cc2s1)=C1C=CN(CCC[N+](C)(C)CCC[N+](C)(C)CCCN2C=CC(=C([H])c3nc4[n+](C)cc(Br)cc4s3)c3ccccc23)c2ccccc12" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C47H54Br2N8S2.4HI/c1-52-32-36(48)30-42-46(52)50-44(58-42)28-34-18-22-54(40-16-9-7-14-38(34)40)20-11-24-56(3,4)26-13-27-57(5,6)25-12-21-55-23-19-35(39-15-8-10-17-41(39)55)29-45-51-47-43(59-45)31-37(49)33-53(47)2;;;;/h7-10,14-19,22-23,28-33H,11-13,20-21,24-27H2,1-6H3;4*1H/q+4;;;;/p-4" RELATED InChI [ChEBI:] synonym: "InChIKey=FTHOOPKJNUQDMN-UHFFFAOYSA-J" RELATED InChIKey [ChEBI:] is_a: CHEBI:50356 relationship: has_role CHEBI:51217 relationship: has_part CHEBI:52867 [Term] id: CHEBI:52218 name: pinacyanol iodide def: "An organic iodide salt that has formula C25H25IN2." [] synonym: "Pinacyanole" RELATED [ChemIDplus:] synonym: "Sensitol Red" RELATED [ChemIDplus:] synonym: "1-ethyl-2-[3-(1-ethylquinolin-2(1H)-ylidene)prop-1-en-1-yl]quinolinium iodide" EXACT IUPAC_NAME [IUPAC:] synonym: "Carbocyanine" RELATED [ChemIDplus:] synonym: "C25H25IN2" RELATED FORMULA [ChEBI:] synonym: "[I-].[H]C(=CC([H])=C1C=Cc2ccccc2N1CC)c1ccc2ccccc2[n+]1CC" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C25H25N2.HI/c1-3-26-22(18-16-20-10-5-7-14-24(20)26)12-9-13-23-19-17-21-11-6-8-15-25(21)27(23)4-2;/h5-19H,3-4H2,1-2H3;1H/q+1;/p-1" RELATED InChI [ChEBI:] synonym: "InChIKey=QWYZFXLSWMXLDM-UHFFFAOYSA-M" RELATED InChIKey [ChEBI:] xref: Beilstein:4117070 "Beilstein Registry Number" xref: ChemIDplus:605-91-4 "CAS Registry Number" xref: NIST Chemistry WebBook:605-91-4 "CAS Registry Number" is_a: CHEBI:37960 is_a: CHEBI:50356 relationship: has_role CHEBI:51217 relationship: has_part CHEBI:52877 [Term] id: CHEBI:52219 name: PoPo-1 def: "An organic iodide salt that has formula C41H54I4N6O2." [] synonym: "Benzoxazolium, 2,2 -[1,3-propanediylbis[(dimethyliminio)-3,1-propanediyl- 1(4H)-pyridinyl-4-ylidenemethylidyne]]bis[3-methyl]- , tetraiodide" RELATED [ChEBI:] synonym: "2,2'-{propane-1,3-diylbis[(dimethylazaniumdiyl)propane-3,1-diylpyridin-1-yl-4-ylidenemethylylidene]}bis(3-methyl-1,3-benzoxazol-3-ium) tetraiodide" EXACT IUPAC_NAME [IUPAC:] synonym: "C41H54I4N6O2" RELATED FORMULA [ChEBI:] synonym: "[I-].[I-].[I-].[I-].[H]C(=C1C=CN(CCC[N+](C)(C)CCC[N+](C)(C)CCCN2C=CC(C=C2)=C([H])c2oc3ccccc3[n+]2C)C=C1)c1oc2ccccc2[n+]1C" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C41H54N6O2.4HI/c1-42-36-14-7-9-16-38(36)48-40(42)32-34-18-24-44(25-19-34)22-11-28-46(3,4)30-13-31-47(5,6)29-12-23-45-26-20-35(21-27-45)33-41-43(2)37-15-8-10-17-39(37)49-41;;;;/h7-10,14-21,24-27,32-33H,11-13,22-23,28-31H2,1-6H3;4*1H/q+4;;;;/p-4" RELATED InChI [ChEBI:] synonym: "InChIKey=BOLJGYHEBJNGBV-UHFFFAOYSA-J" RELATED InChIKey [ChEBI:] is_a: CHEBI:50356 relationship: has_role CHEBI:51217 is_a: CHEBI:37960 relationship: has_part CHEBI:52887 [Term] id: CHEBI:52220 name: PoPo-3 def: "A PoPo-3(4+) that has formula C45H58I4N6O2." [] synonym: "2,2'-{propane-1,3-diylbis[(dimethylazaniumdiyl)propane-3,1-diylpyridin-1-yl-4-ylideneprop-1-en-1-yl-3-ylidene]}bis(3-methyl-1,3-benzoxazol-3-ium) tetraiodide" EXACT IUPAC_NAME [IUPAC:] synonym: "1,1'-{propane-1,3-diylbis[(dimethylazaniumdiyl)propane-3,1-diyl]}bis{4-[3-(3-methyl-1,3-benzoxazol-2(3H)-ylidene)prop-1-en-1-yl]pyridinium} tetraiodide" EXACT IUPAC_NAME [IUPAC:] synonym: "C45H58I4N6O2" RELATED FORMULA [ChEBI:] synonym: "[I-].[I-].[I-].[I-].[H]C(=C([H])c1oc2ccccc2[n+]1C)C([H])=C1C=CN(CCC[N+](C)(C)CCC[N+](C)(C)CCCN2C=CC(C=C2)=C([H])C([H])=C([H])c2oc3ccccc3[n+]2C)C=C1" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C45H58N6O2.4HI/c1-46-40-18-7-9-20-42(40)52-44(46)22-11-16-38-24-30-48(31-25-38)28-13-34-50(3,4)36-15-37-51(5,6)35-14-29-49-32-26-39(27-33-49)17-12-23-45-47(2)41-19-8-10-21-43(41)53-45;;;;/h7-12,16-27,30-33H,13-15,28-29,34-37H2,1-6H3;4*1H/q+4;;;;/p-4" RELATED InChI [ChEBI:] synonym: "InChIKey=GYPIAQJSRPTNTI-UHFFFAOYSA-J" RELATED InChIKey [ChEBI:] is_a: CHEBI:37960 is_a: CHEBI:50356 relationship: has_role CHEBI:51217 is_a: CHEBI:52888 [Term] id: CHEBI:52237 name: Po-Pro-1 def: "An organic iodide salt that has formula C20H27I2N3O." [] synonym: "Benzoxazolium, 3-methyl-2-[[1-[3-(trimethylammonio)propyl]-4(1H)-pyridinylidene]methyl]-, diiodide" RELATED [ChEBI:] synonym: "4-[(3-methyl-1,3-benzoxazol-2(3H)-ylidene)methyl]-1-[3-(trimethylammonio)propyl]pyridinium diiodide" EXACT IUPAC_NAME [IUPAC:] synonym: "3-methyl-2-({1-[3-(trimethylammonio)propyl]pyridin-4(1H)-ylidene}methyl)-1,3-benzoxazol-3-ium diiodide" EXACT IUPAC_NAME [IUPAC:] synonym: "C20H27I2N3O" RELATED FORMULA [ChEBI:] synonym: "[I-].[I-].[H]C(=C1C=CN(CCC[N+](C)(C)C)C=C1)c1oc2ccccc2[n+]1C" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C20H27N3O.2HI/c1-21-18-8-5-6-9-19(18)24-20(21)16-17-10-13-22(14-11-17)12-7-15-23(2,3)4;;/h5-6,8-11,13-14,16H,7,12,15H2,1-4H3;2*1H/q+2;;/p-2" RELATED InChI [ChEBI:] synonym: "InChIKey=QBKMWMZYHZILHF-UHFFFAOYSA-L" RELATED InChIKey [ChEBI:] is_a: CHEBI:37960 is_a: CHEBI:50356 relationship: has_role CHEBI:51217 relationship: has_part CHEBI:52885 [Term] id: CHEBI:52238 name: Po-Pro-3 def: "An organic iodide salt that has formula C22H29I2N3O." [] synonym: "4-[3-(3-methyl-1,3-benzoxazol-2(3H)-ylidene)prop-1-en-1-yl]-1-[3-(trimethylammonio)propyl]pyridinium diiodide" EXACT IUPAC_NAME [IUPAC:] synonym: "Benzoxazolium, 3-methyl-2-[3-[1-[3-(trimethylammonio)propyl]-4(1H)-pyridinylidene]-1-propenyl]-, diiodide" RELATED [ChEBI:] synonym: "3-methyl-2-(3-{1-[3-(trimethylammonio)propyl]pyridin-4(1H)-ylidene}prop-1-en-1-yl)-1,3-benzoxazol-3-ium diiodide" EXACT IUPAC_NAME [IUPAC:] synonym: "C22H29I2N3O" RELATED FORMULA [ChEBI:] synonym: "[I-].[I-].[H]C(=C([H])c1oc2ccccc2[n+]1C)C([H])=C1C=CN(CCC[N+](C)(C)C)C=C1" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C22H29N3O.2HI/c1-23-20-10-5-6-11-21(20)26-22(23)12-7-9-19-13-16-24(17-14-19)15-8-18-25(2,3)4;;/h5-7,9-14,16-17H,8,15,18H2,1-4H3;2*1H/q+2;;/p-2" RELATED InChI [ChEBI:] synonym: "InChIKey=CZQJZBNARVNSLQ-UHFFFAOYSA-L" RELATED InChIKey [ChEBI:] is_a: CHEBI:37960 is_a: CHEBI:50356 relationship: has_role CHEBI:51217 relationship: has_part CHEBI:52886 [Term] id: CHEBI:52296 name: To-Pro-1 def: "A C1 cyanine dye having benzothiazolium-2-yl and quinolinium-4-yl substituents." [] synonym: "3-methyl-2-({1-[3-(trimethylammonio)propyl]quinolin-4(1H)-ylidene}methyl)-1,3-benzothiazol-3-ium diiodide" EXACT IUPAC_NAME [IUPAC:] synonym: "4-[(3-methyl-1,3-benzothiazol-2(3H)-ylidene)methyl]-1-[3-(trimethylammonio)propyl]quinolinium diiodide" EXACT IUPAC_NAME [IUPAC:] synonym: "C24H29I2N3S" RELATED FORMULA [ChEBI:] synonym: "[I-].[I-].[H]C(=C1C=CN(CCC[N+](C)(C)C)c2ccccc12)c1sc2ccccc2[n+]1C" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C24H29N3S.2HI/c1-25-22-12-7-8-13-23(22)28-24(25)18-19-14-16-26(15-9-17-27(2,3)4)21-11-6-5-10-20(19)21;;/h5-8,10-14,16,18H,9,15,17H2,1-4H3;2*1H/q+2;;/p-2" RELATED InChI [ChEBI:] synonym: "InChIKey=DPXHITFUCHFTKR-UHFFFAOYSA-L" RELATED InChIKey [ChEBI:] is_a: CHEBI:50356 is_a: CHEBI:37960 relationship: has_role CHEBI:51217 relationship: has_part CHEBI:52927 [Term] id: CHEBI:52297 name: To-Pro-3 def: "An unsymmetrical C3 cyanine dye having benzothiazolium-2-yl and quinolinium-4-yl substituents." [] synonym: "4-[3-(3-methyl-1,3-benzothiazol-2(3H)-ylidene)prop-1-en-1-yl]-1-[3-(trimethylammonio)propyl]quinolinium diiodide" EXACT IUPAC_NAME [IUPAC:] synonym: "3-methyl-2-(3-{1-[3-(trimethylammonio)propyl]quinolin-4(1H)-ylidene}prop-1-en-1-yl)-1,3-benzothiazol-3-ium diiodide" EXACT IUPAC_NAME [IUPAC:] synonym: "C26H31I2N3S" RELATED FORMULA [ChEBI:] synonym: "[I-].[I-].[H]C(=Cc1sc2ccccc2[n+]1C)C([H])=C1C=CN(CCC[N+](C)(C)C)c2ccccc12" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C26H31N3S.2HI/c1-27-24-14-7-8-15-25(24)30-26(27)16-9-11-21-17-19-28(18-10-20-29(2,3)4)23-13-6-5-12-22(21)23;;/h5-9,11-17,19H,10,18,20H2,1-4H3;2*1H/q+2;;/p-2" RELATED InChI [ChEBI:] synonym: "InChIKey=QHNORJFCVHUPNH-UHFFFAOYSA-L" RELATED InChIKey [ChEBI:] is_a: CHEBI:50356 is_a: CHEBI:37960 relationship: has_role CHEBI:51217 relationship: has_part CHEBI:52928 [Term] id: CHEBI:52298 name: ToTo-1 def: "An organic iodide salt that has formula C49H58I4N6S2." [] synonym: "1,1'-(4,4,7,7-Tetramethyl-4,7-diazaundecamethylene)-bis-4-(3-methyl-2,3-dihydro-(benzo-1,3-thiazole)-2-methylidene)-quinolinium tetraiodide" RELATED [ChemIDplus:] synonym: "2,2'-{propane-1,3-diylbis[(dimethylammonio)propane-3,1-diylquinolin-1-yl-4-ylidenemethylylidene]}bis(3-methyl-1,3-benzothiazol-3-ium) tetraiodide" EXACT IUPAC_NAME [IUPAC:] synonym: "1,1'-{propane-1,3-diylbis[(dimethylammonio)propane-3,1-diyl]}bis{4-[(3-methyl-1,3-benzothiazol-2(3H)-ylidene)methyl]quinolinium} tetraiodide" EXACT IUPAC_NAME [IUPAC:] synonym: "C49H58I4N6S2" RELATED FORMULA [ChEBI:] synonym: "[I-].[I-].[I-].[I-].[H]C(=C1Sc2ccccc2N1C)c1cc[n+](CCC[N+](C)(C)CCC[N+](C)(C)CCC[n+]2ccc(C([H])=C3Sc4ccccc4N3C)c3ccccc23)c2ccccc12" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C49H58N6S2.4HI/c1-50-44-22-11-13-24-46(44)56-48(50)36-38-26-30-52(42-20-9-7-18-40(38)42)28-15-32-54(3,4)34-17-35-55(5,6)33-16-29-53-31-27-39(41-19-8-10-21-43(41)53)37-49-51(2)45-23-12-14-25-47(45)57-49;;;;/h7-14,18-27,30-31,36-37H,15-17,28-29,32-35H2,1-6H3;4*1H/q+4;;;;/p-4" RELATED InChI [ChEBI:] synonym: "InChIKey=MZZINWWGSYUHGU-UHFFFAOYSA-J" RELATED InChIKey [ChEBI:] xref: ChemIDplus:143413-84-7 "CAS Registry Number" is_a: CHEBI:50356 is_a: CHEBI:37960 relationship: has_role CHEBI:51217 relationship: has_part CHEBI:52929 [Term] id: CHEBI:52299 name: ToTo-3 def: "An organic iodide salt that has formula C55H62I4N6S2." [] synonym: "2,2'-{[4,8-bis(dimethyliminio)undecane-1,11-diyl]bis[quinolin-1-yl-4-ylideneprop-1-en-1-yl-3-ylidene]}bis(3-methyl-1,3-benzothiazol-3-ium) tetraiodide" EXACT IUPAC_NAME [IUPAC:] synonym: "1,1'-(1,3-propanediylbis((dimethyliminio)-3,1-propanediyl))bis(4-(3-(3-methyl-2(3H)-benzothiazolylidene)-1-propenyl)quinolinium) tetraiodide" RELATED [ChemIDplus:] synonym: "1,1'-[4,8-bis(dimethyliminio)undecane-1,11-diyl]bis{4-[3-(3-methyl-1,3-benzothiazol-2(3H)-ylidene)prop-1-en-1-yl]quinolinium} tetraiodide" EXACT IUPAC_NAME [IUPAC:] synonym: "C55H62I4N6S2" RELATED FORMULA [ChEBI:] synonym: "[I-].[I-].[I-].[I-].[H]C(=Cc1cc[n+](CCCC(CCCC(CCC[n+]2ccc(C([H])=CC([H])=C3Sc4ccccc4N3C)c3ccccc23)=[N+](C)C)=[N+](C)C)c2ccccc12)C([H])=C1Sc2ccccc2N1C" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C55H62N6S2.4HI/c1-56(2)44(24-18-38-60-40-36-42(46-26-7-9-28-48(46)60)20-15-34-54-58(5)50-30-11-13-32-52(50)62-54)22-17-23-45(57(3)4)25-19-39-61-41-37-43(47-27-8-10-29-49(47)61)21-16-35-55-59(6)51-31-12-14-33-53(51)63-55;;;;/h7-16,20-21,26-37,40-41H,17-19,22-25,38-39H2,1-6H3;4*1H/q+4;;;;/p-4" RELATED InChI [ChEBI:] synonym: "InChIKey=ZHCARZIOVPWZCF-UHFFFAOYSA-J" RELATED InChIKey [ChEBI:] xref: ChemIDplus:166196-17-4 "CAS Registry Number" is_a: CHEBI:37960 is_a: CHEBI:50356 relationship: has_role CHEBI:51217 relationship: has_part CHEBI:52930 [Term] id: CHEBI:52694 name: C3-indocyanine def: "A C3 cyanine dye having 1-ethyl-3,3-dimethylindoleinine units at each end." [] synonym: "1,1'-Diethyl-3,3,3',3'-tetramethylindocarbocyanine iodide" RELATED [ChEBI:] synonym: "Indocarbocyanine(C3)" RELATED [ChEBI:] synonym: "C3-DI (C3-di-indolenine)" RELATED [ChEBI:] synonym: "1-ethyl-2-[3-(1-ethyl-3,3-dimethyl-1,3-dihydro-2H-indol-2-ylidene)prop-1-en-1-yl]-3,3-dimethyl-3H-indolium iodide" EXACT IUPAC_NAME [IUPAC:] synonym: "C27H33IN2" RELATED FORMULA [ChEBI:] synonym: "[I-].[H]C(=C([H])C1=[N+](CC)c2ccccc2C1(C)C)C([H])=C1N(CC)c2ccccc2C1(C)C" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C27H33N2.HI/c1-7-28-22-16-11-9-14-20(22)26(3,4)24(28)18-13-19-25-27(5,6)21-15-10-12-17-23(21)29(25)8-2;/h9-19H,7-8H2,1-6H3;1H/q+1;/p-1" RELATED InChI [ChEBI:] synonym: "InChIKey=LGRNGKUSEZTBMB-UHFFFAOYSA-M" RELATED InChIKey [ChEBI:] xref: Beilstein:4088977 "Beilstein Registry Number" is_a: CHEBI:37960 relationship: has_role CHEBI:51217 is_a: CHEBI:50356 relationship: has_part CHEBI:52804 [Term] id: CHEBI:52771 name: 4-(4-diethylaminostyryl)-1-methylpyridinium iodide def: "An organic iodide salt consisting of pyridinium iodide having a methyl substituent at the 1-position and a 4-diethylaminostyryl substituent at the 4-position." [] synonym: "4-(4-Diethylaminostyryl)-N-methylpyridinium iodide" RELATED [ChemIDplus:] synonym: "4-{(E)-2-[4-(diethylamino)phenyl]ethenyl}-1-methylpyridinium iodide" EXACT IUPAC_NAME [IUPAC:] synonym: "C18H23IN2" RELATED FORMULA [ChEBI:] synonym: "[I-].CCN(CC)c1ccc(cc1)\\C=C\\c1cc[n+](C)cc1" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C18H23N2.HI/c1-4-20(5-2)18-10-8-16(9-11-18)6-7-17-12-14-19(3)15-13-17;/h6-15H,4-5H2,1-3H3;1H/q+1;/p-1" RELATED InChI [ChEBI:] synonym: "InChIKey=WIPKWLIHFGTFQV-UHFFFAOYSA-M" RELATED InChIKey [ChEBI:] xref: Beilstein:6101936 "Beilstein Registry Number" xref: ChemIDplus:105802-46-8 "CAS Registry Number" is_a: CHEBI:50356 relationship: has_role CHEBI:51217 is_a: CHEBI:38188 relationship: has_part CHEBI:52920 [Term] id: CHEBI:53235 name: poly(N-methyl-2-vinylpyridinium iodide) def: "A polymer composed of repeating N-methyl-2-ethylpyridinium iodide units." [] synonym: "P2MVP" RELATED [SUBMITTER:] synonym: "(C8H10IN)n" RELATED FORMULA [ChEBI:] is_a: CHEBI:53245 is_a: CHEBI:50356 is_a: CHEBI:38188 [Term] id: CHEBI:61324 name: 1,3-dimethylimidazolium iodide def: "An organic iodide salt in which the cationic component is 1,3-dimethylimidazolium." [] synonym: "1,3-dimethyl-1H-imidazol-3-ium iodide" EXACT IUPAC_NAME [IUPAC:] synonym: "1-Methylimidazole methiodide" RELATED [ChemIDplus:] synonym: "C5H9IN2" RELATED FORMULA [ChEBI:] synonym: "[I-].Cn1cc[n+](C)c1" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C5H9N2.HI/c1-6-3-4-7(2)5-6;/h3-5H,1-2H3;1H/q+1;/p-1" RELATED InChI [ChEBI:] synonym: "InChIKey=ARSMIBSHEYKMJT-UHFFFAOYSA-M" RELATED InChIKey [ChEBI:] xref: ChemIDplus:4333-62-4 "CAS Registry Number" xref: Reaxys:4160431 "Reaxys Registry Number" is_a: CHEBI:50356 relationship: has_part CHEBI:61322 [Term] id: CHEBI:61335 name: 1-butyl-3-methylimidazolium iodide def: "An organic iodide salt in which the cationic component is 1-butyl-3-methylimidazolium." [] synonym: "N-butyl-N'-methylimidazolium iodide" RELATED [ChEBI:] synonym: "[bmim][I]" RELATED [ChEBI:] synonym: "1-butyl-3-methyl-1H-imidazol-3-ium iodide" EXACT IUPAC_NAME [IUPAC:] synonym: "C8H15IN2" RELATED FORMULA [ChEBI:] synonym: "[I-].CCCCn1cc[n+](C)c1" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C8H15N2.HI/c1-3-4-5-10-7-6-9(2)8-10;/h6-8H,3-5H2,1-2H3;1H/q+1;/p-1" RELATED InChI [ChEBI:] synonym: "InChIKey=XREPTGNZZKNFQZ-UHFFFAOYSA-M" RELATED InChIKey [ChEBI:] is_a: CHEBI:50356 relationship: has_part CHEBI:61333 [Term] id: CHEBI:65133 name: 4-[4-(dimethylamino)styryl]-N-methylpyridinium iodide def: "An organic iodide salt consisting of pyridinium iodide having a methyl substituent at the 1-position and a 4-dimethylaminostyryl substituent at the 4-position." [] synonym: "4-[4-(dimethylamino)styryl]-1-methylpyridinium iodide" RELATED [ChEBI:] synonym: "4-{(E)-2-[4-(dimethylamino)phenyl]ethenyl}-1-methylpyridinium iodide" EXACT IUPAC_NAME [IUPAC:] synonym: "4-{(E)-2-[4-(dimethylamino)phenyl]vinyl}-1-methylpyridinium iodide" RELATED [IUPAC:] synonym: "C16H19IN2" RELATED FORMULA [ChEBI:] synonym: "[I-].CN(C)c1ccc(cc1)\\C=C\\c1cc[n+](C)cc1" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C16H19N2.HI/c1-17(2)16-8-6-14(7-9-16)4-5-15-10-12-18(3)13-11-15;/h4-13H,1-3H3;1H/q+1;/p-1" RELATED InChI [ChEBI:] synonym: "InChIKey=UJNFDSOJKNOBIA-UHFFFAOYSA-M" RELATED InChIKey [ChEBI:] xref: Reaxys:6100930 "Reaxys Registry Number" is_a: CHEBI:50356 is_a: CHEBI:38188 relationship: has_role CHEBI:51217 relationship: has_part CHEBI:72542 [Term] id: CHEBI:55320 name: ethyltrimethylammonium iodide def: "A quarternary ammonium salt whose basic unit comprises an ethyltrimethylammonium cation and an iodide anion." [] synonym: "Iodure d'ethyl-trimethyl-ammonium" RELATED [ChemIDplus:] synonym: "N,N,N-trimethylethanaminium iodide" EXACT IUPAC_NAME [IUPAC:] synonym: "N,N,N-Trimethylethanaminium iodide" RELATED [ChemIDplus:] synonym: "Trimethylethylammonium iodide" RELATED [ChemIDplus:] synonym: "C5H14IN" RELATED FORMULA [ChEBI:] synonym: "[I-].CC[N+](C)(C)C" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C5H14N.HI/c1-5-6(2,3)4;/h5H2,1-4H3;1H/q+1;/p-1" RELATED InChI [ChEBI:] synonym: "InChIKey=ZPEBBUBSCOELHI-UHFFFAOYSA-M" RELATED InChIKey [ChEBI:] xref: CiteXplore:6196640 "PubMed citation" xref: Beilstein:3911187 "Beilstein Registry Number" xref: ChemIDplus:51-93-4 "CAS Registry Number" is_a: CHEBI:35273 is_a: CHEBI:24858 [Term] id: CHEBI:59849 name: ecothiopate iodide def: "The iodide salt of ecothiopate. An irreversible acetylcholinesterase inhibitor, it is used an ocular antihypertensive in the treatment of open-angle glaucoma, particularly when other drugs have proved inadequate." [] synonym: "2-[(diethoxyphosphoryl)sulfanyl]-N,N,N-trimethylethanaminium iodide" EXACT IUPAC_NAME [IUPAC:] synonym: "iodure d'ecothiopate" RELATED INN [ChemIDplus:] synonym: "(2-mercaptoethyl)trimethylammonium iodidie O,O-diethyl phosphorothioate" RELATED [ChEBI:] synonym: "diethoxyphosphoryl-thiocholine iodide" RELATED [ChemIDplus:] synonym: "2-[(diethoxyphosphinyl)thio]-N,N,N-trimethylethanaminium iodide" RELATED [ChEBI:] synonym: "ioduro de ecotiopato" RELATED INN [ChemIDplus:] synonym: "S-(2-(N,N,N-trimethylammonio)ethyl) O,O-diethylphosphorothiolate iodide" RELATED [ChemIDplus:] synonym: "diethoxyphosphinylthiocholine iodide" RELATED [ChEBI:] synonym: "S-(2-dimethylaminoethyl)-O,O-diethylphosphorothioate methiodide" RELATED [ChemIDplus:] synonym: "ecothiopati iodidum" RELATED INN [ChemIDplus:] synonym: "ecothiopate iodide" RELATED INN [KEGG DRUG:] synonym: "S-beta-dimethylaminoethyl-O,O-diethylthionophosphate methiodide" RELATED [ChEBI:] synonym: "O,O-diethyl S-2-trimethylammonium ethylphosphonothiolate iodide" RELATED [ChemIDplus:] synonym: "N-(2-(diethoxyphosphinylthio)ethyl)trimethylammonium iodide" RELATED [ChemIDplus:] synonym: "ecothiophate iodide" RELATED [ChemIDplus:] synonym: "2-diethoxy-phosphinylthioethyl-trimethylammonium iodide" RELATED [ChemIDplus:] synonym: "C9H23INO3PS" RELATED FORMULA [ChEBI:] synonym: "[I-].CCOP(=O)(OCC)SCC[N+](C)(C)C" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C9H23NO3PS.HI/c1-6-12-14(11,13-7-2)15-9-8-10(3,4)5;/h6-9H2,1-5H3;1H/q+1;/p-1" RELATED InChI [ChEBI:] synonym: "InChIKey=OVXQHPWHMXOFRD-UHFFFAOYSA-M" RELATED InChIKey [ChEBI:] xref: ChemIDplus:513-10-0 "CAS Registry Number" xref: KEGG DRUG:513-10-0 "CAS Registry Number" xref: KEGG DRUG:D02193 "KEGG DRUG" xref: DrugBank:DB01057 "DrugBank" xref: Patent:US2911430 "Patent" xref: Beilstein:3762945 "Beilstein Registry Number" is_a: CHEBI:24858 relationship: has_part CHEBI:4753 relationship: has_role CHEBI:39456 is_a: CHEBI:35273 relationship: has_role CHEBI:37733 relationship: has_role CHEBI:51068 [Term] id: CHEBI:63040 name: ammonium iodide def: "The iodide salt of ammonia." [] synonym: "Ammoniumiodid" RELATED [ChEBI:] synonym: "azanium iodide" EXACT IUPAC_NAME [IUPAC:] synonym: "azanium iodide" RELATED [SUBMITTER:] synonym: "ammonium iodide" EXACT IUPAC_NAME [IUPAC:] synonym: "H4IN" RELATED FORMULA [ChEBI:] synonym: "[NH4+].[I-]" RELATED SMILES [ChEBI:] synonym: "InChI=1S/HI.H3N/h1H;1H3" RELATED InChI [ChEBI:] synonym: "InChIKey=UKFWSNCTAHXBQN-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: Reaxys:15705643 "Reaxys Registry Number" xref: ChemIDplus:12027-06-4 "CAS Registry Number" is_a: CHEBI:47704 is_a: CHEBI:24858 [Term] id: CHEBI:30417 name: astatide def: "An elemental astatine that has formula At." [] synonym: "At(-)" RELATED [IUPAC:] synonym: "astatide" EXACT IUPAC_NAME [IUPAC:] synonym: "astatide(1-)" EXACT IUPAC_NAME [IUPAC:] synonym: "At" RELATED FORMULA [ChEBI:] synonym: "[At-]" RELATED SMILES [ChEBI:] synonym: "InChI=1S/At/q-1" RELATED InChI [ChEBI:] synonym: "InChIKey=VDAZFUUMKCQRLN-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: Gmelin:473904 "Gmelin Registry Number" is_a: CHEBI:16042 is_a: CHEBI:37139 relationship: is_conjugate_base_of CHEBI:30418 [Term] id: CHEBI:33958 name: halide salt synonym: "halides" RELATED [ChEBI:] synonym: "halide salts" RELATED [ChEBI:] relationship: has_part CHEBI:16042 is_a: CHEBI:24866 is_a: CHEBI:37578 [Term] id: CHEBI:46714 name: halide mineral synonym: "halides" RELATED [ChEBI:] synonym: "halide minerals" RELATED [ChEBI:] is_a: CHEBI:46662 is_a: CHEBI:33958 [Term] id: CHEBI:46713 name: fluorite synonym: "Fluorit" RELATED [ChEBI:] synonym: "fluorspar" RELATED [ChemIDplus:] synonym: "Flussspat" RELATED [ChEBI:] synonym: "CaF2" RELATED FORMULA [ChEBI:] xref: Gmelin:11252 "Gmelin Registry Number" xref: ChemIDplus:14542-23-5 "CAS Registry Number" is_a: CHEBI:35437 is_a: CHEBI:46714 [Term] id: CHEBI:38003 name: 1,1'-diethyl-2,2'-cyanine halide synonym: "1-ethyl-2-{[1-ethylquinolin-2(1H)-ylidene]methyl}quinolinium halide" EXACT IUPAC_NAME [IUPAC:] is_a: CHEBI:37960 relationship: has_part CHEBI:37994 is_a: CHEBI:33958 [Term] id: CHEBI:30030 name: auride(1-) def: "An elemental gold that has formula Au." [] synonym: "Au(-)" RELATED [ChEBI:] synonym: "auride" EXACT IUPAC_NAME [IUPAC:] synonym: "auride(1-)" EXACT IUPAC_NAME [IUPAC:] synonym: "Au" RELATED FORMULA [ChEBI:] synonym: "[Au-]" RELATED SMILES [ChEBI:] synonym: "InChI=1S/Au/q-1" RELATED InChI [ChEBI:] synonym: "InChIKey=PLBIBGCHGHXZDD-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] is_a: CHEBI:33429 is_a: CHEBI:33970 [Term] id: CHEBI:30166 name: boride(1-) def: "A monoatomic boron that has formula B." [] synonym: "boride(1-)" EXACT IUPAC_NAME [IUPAC:] synonym: "Boron anion" RELATED [NIST Chemistry WebBook:] synonym: "B(-)" RELATED [IUPAC:] synonym: "B" RELATED FORMULA [ChEBI:] synonym: "[B-]" RELATED SMILES [ChEBI:] synonym: "InChI=1S/B/q-1" RELATED InChI [ChEBI:] synonym: "InChIKey=XGLYHUVZMIRFNT-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: NIST Chemistry WebBook:18869-19-7 "CAS Registry Number" xref: Gmelin:14907 "Gmelin Registry Number" is_a: CHEBI:33429 is_a: CHEBI:33610 [Term] id: CHEBI:29435 name: carbide(1-) def: "A monoatomic carbon that has formula C." [] synonym: "C(-)" RELATED [IUPAC:] synonym: "carbide(1-)" EXACT IUPAC_NAME [IUPAC:] synonym: "C" RELATED FORMULA [ChEBI:] synonym: "[C-]" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C/q-1" RELATED InChI [ChEBI:] synonym: "InChIKey=RTNCBHBYULLTCL-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] is_a: CHEBI:33419 is_a: CHEBI:33429 [Term] id: CHEBI:33010 name: chromide(1-) def: "A chromium ion that has formula Cr." [] synonym: "chromium anion" RELATED [NIST Chemistry WebBook:] synonym: "chromide(1-)" EXACT IUPAC_NAME [IUPAC:] synonym: "Cr(-)" RELATED [IUPAC:] synonym: "chromide(-I)" EXACT IUPAC_NAME [IUPAC:] synonym: "Cr" RELATED FORMULA [ChEBI:] synonym: "[Cr-]" RELATED SMILES [ChEBI:] synonym: "InChI=1S/Cr/q-1" RELATED InChI [ChEBI:] synonym: "InChIKey=HAVSLMYESNIBIW-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: NIST Chemistry WebBook:19498-56-7 "CAS Registry Number" xref: Gmelin:75150 "Gmelin Registry Number" is_a: CHEBI:33429 is_a: CHEBI:61310 [Term] id: CHEBI:29104 name: kalide def: "An elemental potassium that has formula K." [] synonym: "kalide(-I)" EXACT IUPAC_NAME [IUPAC:] synonym: "kalide(1-)" EXACT IUPAC_NAME [IUPAC:] synonym: "Potassium anion" RELATED [NIST Chemistry WebBook:] synonym: "K(-)" RELATED [IUPAC:] synonym: "kalide" EXACT IUPAC_NAME [IUPAC:] synonym: "K" RELATED FORMULA [ChEBI:] synonym: "[K-]" RELATED SMILES [ChEBI:] synonym: "InChI=1S/K/q-1" RELATED InChI [ChEBI:] synonym: "InChIKey=UWWOIRWVTCLRBA-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: NIST Chemistry WebBook:19128-96-2 "CAS Registry Number" is_a: CHEBI:33429 is_a: CHEBI:37247 [Term] id: CHEBI:30144 name: lithide def: "A monoatomic monoanion that has formula Li." [] synonym: "lithide" EXACT IUPAC_NAME [IUPAC:] synonym: "lithium anion" RELATED [NIST Chemistry WebBook:] synonym: "Li(-)" RELATED [IUPAC:] synonym: "lithide(1-)" EXACT IUPAC_NAME [IUPAC:] synonym: "Li" RELATED FORMULA [ChEBI:] synonym: "[Li-]" RELATED SMILES [ChEBI:] synonym: "InChI=1S/Li/q-1" RELATED InChI [ChEBI:] synonym: "InChIKey=VSRVKRSRQFOUEF-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: NIST Chemistry WebBook:14808-04-9 "CAS Registry Number" is_a: CHEBI:33429 [Term] id: CHEBI:29102 name: natride def: "An elemental sodium that has formula Na." [] synonym: "sodium anion" RELATED [NIST Chemistry WebBook:] synonym: "Na(-)" RELATED [IUPAC:] synonym: "natride(1-)" EXACT IUPAC_NAME [IUPAC:] synonym: "natride(-I)" EXACT IUPAC_NAME [IUPAC:] synonym: "natride" EXACT IUPAC_NAME [IUPAC:] synonym: "Na" RELATED FORMULA [ChEBI:] synonym: "[Na-]" RELATED SMILES [ChEBI:] synonym: "InChI=1S/Na/q-1" RELATED InChI [ChEBI:] synonym: "InChIKey=GVGHZEYNQYAORP-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: Gmelin:14914 "Gmelin Registry Number" xref: NIST Chemistry WebBook:19181-13-6 "CAS Registry Number" is_a: CHEBI:33429 is_a: CHEBI:37246 [Term] id: CHEBI:30585 name: silicide(1-) def: "An elemental silicon that has formula Si." [] synonym: "silicide(-I)" RELATED [IUPAC:] synonym: "Si(-)" RELATED [IUPAC:] synonym: "Silicon anion" RELATED [NIST Chemistry WebBook:] synonym: "silicide(1-)" EXACT IUPAC_NAME [IUPAC:] synonym: "Si" RELATED FORMULA [ChEBI:] synonym: "[Si-]" RELATED SMILES [ChEBI:] synonym: "InChI=1S/Si/q-1" RELATED InChI [ChEBI:] synonym: "InChIKey=HJELPJZFDFLHEY-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: NIST Chemistry WebBook:14337-02-1 "CAS Registry Number" is_a: CHEBI:33429 is_a: CHEBI:37763 [Term] id: CHEBI:33469 name: phosphide(1-) def: "A monoatomic phosphorus that has formula P." [] synonym: "phosphorus anion" RELATED [NIST Chemistry WebBook:] synonym: "phosphide(1-)" EXACT IUPAC_NAME [IUPAC:] synonym: "P(-)" RELATED [IUPAC:] synonym: "P" RELATED FORMULA [ChEBI:] synonym: "[P-]" RELATED SMILES [ChEBI:] synonym: "InChI=1S/P/q-1" RELATED InChI [ChEBI:] synonym: "InChIKey=FFZANLXOAFSSGC-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: NIST Chemistry WebBook:16050-72-9 "CAS Registry Number" is_a: CHEBI:33466 is_a: CHEBI:33429 [Term] id: CHEBI:33496 name: rubidide def: "A rubidium molecular entity that has formula Rb." [] synonym: "rubidide(-I)" EXACT IUPAC_NAME [IUPAC:] synonym: "rubidide" EXACT IUPAC_NAME [IUPAC:] synonym: "rubidide(1-)" EXACT IUPAC_NAME [IUPAC:] synonym: "Rb(-)" RELATED [IUPAC:] synonym: "Rb" RELATED FORMULA [ChEBI:] synonym: "[Rb-]" RELATED SMILES [ChEBI:] synonym: "InChI=1S/Rb/q-1" RELATED InChI [ChEBI:] synonym: "InChIKey=VKTONJJWIAOTTR-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] is_a: CHEBI:37126 is_a: CHEBI:33429 [Term] id: CHEBI:33503 name: francide def: "A francium molecular entity that has formula Fr." [] synonym: "francide" EXACT IUPAC_NAME [IUPAC:] synonym: "francide(-I)" EXACT IUPAC_NAME [IUPAC:] synonym: "Fr(-)" RELATED [IUPAC:] synonym: "francide(1-)" EXACT IUPAC_NAME [IUPAC:] synonym: "Fr" RELATED FORMULA [ChEBI:] synonym: "[Fr-]" RELATED SMILES [ChEBI:] synonym: "InChI=1S/Fr/q-1" RELATED InChI [ChEBI:] synonym: "InChIKey=IZUSFFYFNBTCET-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] is_a: CHEBI:37129 is_a: CHEBI:33429 [Term] id: CHEBI:37130 name: caeside def: "A caesium molecular entity that has formula Cs." [] synonym: "caeside(-I)" EXACT IUPAC_NAME [IUPAC:] synonym: "Cd(-)" RELATED [IUPAC:] synonym: "caeside" EXACT IUPAC_NAME [IUPAC:] synonym: "caeside(1-)" EXACT IUPAC_NAME [IUPAC:] synonym: "Cs" RELATED FORMULA [ChEBI:] synonym: "[Cs-]" RELATED SMILES [ChEBI:] synonym: "InChI=1S/Cs/q-1" RELATED InChI [ChEBI:] synonym: "InChIKey=NFFJFSFVERDMBQ-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] is_a: CHEBI:33429 is_a: CHEBI:37128 [Term] id: CHEBI:37254 name: zincide def: "A zinc ion that has formula Zn." [] synonym: "zincide" EXACT IUPAC_NAME [IUPAC:] synonym: "zinc anion" RELATED [NIST Chemistry WebBook:] synonym: "Zn(-)" RELATED [IUPAC:] synonym: "zincide(1-)" EXACT IUPAC_NAME [IUPAC:] synonym: "zinc(1-)" RELATED [ChemIDplus:] synonym: "zincide(-I)" EXACT IUPAC_NAME [IUPAC:] synonym: "Zn" RELATED FORMULA [ChEBI:] synonym: "[Zn-]" RELATED SMILES [ChEBI:] synonym: "InChI=1S/Zn/q-1" RELATED InChI [ChEBI:] synonym: "InChIKey=UFLZNUWLGDSEQA-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: NIST Chemistry WebBook:19229-95-9 "CAS Registry Number" xref: ChemIDplus:19229-95-9 "CAS Registry Number" is_a: CHEBI:27365 is_a: CHEBI:33429 [Term] id: CHEBI:50086 name: monoatomic tetraanion synonym: "monoatomic tetraanions" RELATED [ChEBI:] synonym: "." RELATED FORMULA [ChEBI:] synonym: "[*-4]" RELATED SMILES [ChEBI:] is_a: CHEBI:23905 [Term] id: CHEBI:30556 name: germide(4-) def: "A monoatomic tetraanion that has formula Ge." [] synonym: "germide(4-)" EXACT IUPAC_NAME [IUPAC:] synonym: "Ge(4-)" RELATED [IUPAC:] synonym: "germide" RELATED [IUPAC:] synonym: "Ge" RELATED FORMULA [ChEBI:] synonym: "[Ge-4]" RELATED SMILES [ChEBI:] synonym: "InChI=1S/Ge/q-4" RELATED InChI [ChEBI:] synonym: "InChIKey=JDUHXLSMNANTJB-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] is_a: CHEBI:50086 is_a: CHEBI:50087 [Term] id: CHEBI:23906 name: monoatomic cation synonym: "monoatomic cations" RELATED [ChEBI:] is_a: CHEBI:24867 is_a: CHEBI:36916 [Term] id: CHEBI:30412 name: monoatomic dication alt_id: CHEBI:4665 alt_id: CHEBI:23856 synonym: "divalent cation" RELATED [UniProt:] synonym: "monoatomic dications" RELATED [ChEBI:] synonym: "Divalent cation" RELATED [KEGG COMPOUND:] synonym: "divalent inorganic cations" RELATED [ChEBI:] synonym: "." RELATED FORMULA [ChEBI:] synonym: "[*++]" RELATED SMILES [ChEBI:] xref: KEGG COMPOUND:C00572 "KEGG COMPOUND" is_a: CHEBI:23906 [Term] id: CHEBI:33316 name: helium(2+) def: "A monoatomic helium that has formula He." [] synonym: "helium(2+)" EXACT IUPAC_NAME [IUPAC:] synonym: "He(2+)" RELATED [IUPAC:] synonym: "He" RELATED FORMULA [ChEBI:] synonym: "[He++]" RELATED SMILES [ChEBI:] synonym: "InChI=1S/He/q+2" RELATED InChI [ChEBI:] synonym: "InChIKey=LBDSXVIYZYSRII-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] is_a: CHEBI:33315 is_a: CHEBI:30412 [Term] id: CHEBI:30216 name: alpha-particle def: "Nucleus of the (4)He atom." [] synonym: "alpha-particle" EXACT IUPAC_NAME [IUPAC:] synonym: "alpha-particle" EXACT [IUPAC:] synonym: "alpha" RELATED [IUPAC:] synonym: "helium-4(2+)" EXACT IUPAC_NAME [IUPAC:] synonym: "(4)He(2+)" RELATED [IUPAC:] synonym: "He" RELATED FORMULA [ChEBI:] synonym: "[4He++]" RELATED SMILES [ChEBI:] synonym: "InChI=1S/He/q+2/i1+0" RELATED InChI [ChEBI:] synonym: "InChIKey=LBDSXVIYZYSRII-IGMARMGPSA-N" RELATED InChIKey [ChEBI:] xref: Gmelin:53474 "Gmelin Registry Number" is_a: CHEBI:33252 is_a: CHEBI:33316 [Term] id: CHEBI:30219 name: helium-4 atom def: "The stable isotope of helium with relative atomic mass 4.002603. The most abundant (99.99 atom percent) isotope of naturally occurring helium." [] synonym: "helium-4" RELATED [ChEBI:] synonym: "(4)He" RELATED [IUPAC:] synonym: "helium-4" EXACT IUPAC_NAME [IUPAC:] synonym: "(4)2He" RELATED [IUPAC:] synonym: "He" RELATED FORMULA [ChEBI:] synonym: "[4He]" RELATED SMILES [ChEBI:] synonym: "InChI=1S/He/i1+0" RELATED InChI [ChEBI:] synonym: "InChIKey=SWQJXJOGLNCZEY-IGMARMGPSA-N" RELATED InChIKey [ChEBI:] xref: Gmelin:14207 "Gmelin Registry Number" is_a: CHEBI:30217 relationship: has_part CHEBI:30216 [Term] id: CHEBI:30220 name: helion def: "Nucleus of the (3)He atom." [] synonym: "(3)He(2+)" RELATED [IUPAC:] synonym: "helion" EXACT IUPAC_NAME [IUPAC:] synonym: "h" RELATED [IUPAC:] synonym: "helium-3(2+)" EXACT IUPAC_NAME [IUPAC:] synonym: "He" RELATED FORMULA [ChEBI:] synonym: "[3He++]" RELATED SMILES [ChEBI:] synonym: "InChI=1S/He/q+2/i1-1" RELATED InChI [ChEBI:] synonym: "InChIKey=LBDSXVIYZYSRII-BJUDXGSMSA-N" RELATED InChIKey [ChEBI:] is_a: CHEBI:33252 is_a: CHEBI:33316 [Term] id: CHEBI:30218 name: helium-3 atom def: "The stable isotope of helium with relative atomic mass 3.016029. The least abundant (0.000137 atom percent) isotope of naturally occurring helium." [] synonym: "(3He)helium" RELATED [ChemIDplus:] synonym: "helium-3" RELATED [ChEBI:] synonym: "(3)He" RELATED [IUPAC:] synonym: "(3)2He" RELATED [IUPAC:] synonym: "helium, isotope of mass 3" RELATED [ChemIDplus:] synonym: "helium-3" EXACT IUPAC_NAME [IUPAC:] synonym: "He" RELATED FORMULA [ChEBI:] synonym: "[3He]" RELATED SMILES [ChEBI:] synonym: "InChI=1S/He/i1-1" RELATED InChI [ChEBI:] synonym: "InChIKey=SWQJXJOGLNCZEY-BJUDXGSMSA-N" RELATED InChIKey [ChEBI:] xref: ChemIDplus:14762-55-1 "CAS Registry Number" xref: Gmelin:14208 "Gmelin Registry Number" is_a: CHEBI:30217 relationship: has_part CHEBI:30220 [Term] id: CHEBI:37136 name: barium(2+) alt_id: CHEBI:32593 alt_id: CHEBI:34552 alt_id: CHEBI:49494 def: "A barium cation that has formula Ba." [] synonym: "Ba(2+)" RELATED [UniProt:] synonym: "barium(2+) ion" EXACT IUPAC_NAME [IUPAC:] synonym: "barium(2+)" EXACT IUPAC_NAME [IUPAC:] synonym: "barium(II) cation" EXACT IUPAC_NAME [IUPAC:] synonym: "Ba(2+)" RELATED [IUPAC:] synonym: "Ba2+" RELATED [KEGG COMPOUND:] synonym: "Barium" RELATED [KEGG COMPOUND:] synonym: "BARIUM ION" RELATED [PDBeChem:] synonym: "Ba" RELATED FORMULA [KEGG COMPOUND:] synonym: "[Ba++]" RELATED SMILES [ChEBI:] synonym: "InChI=1S/Ba/q+2" RELATED InChI [ChEBI:] synonym: "InChIKey=XDFCIPNJCBUZJN-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: Gmelin:6848 "Gmelin Registry Number" xref: ChemIDplus:22541-12-4 "CAS Registry Number" xref: KEGG COMPOUND:C13881 "KEGG COMPOUND" xref: PDBeChem:BA "PDBeChem" is_a: CHEBI:39125 is_a: CHEBI:60240 is_a: CHEBI:30412 [Term] id: CHEBI:48775 name: cadmium(2+) alt_id: CHEBI:48773 alt_id: CHEBI:3290 def: "A cadmium cation that has formula Cd." [] synonym: "Cd(2+)" RELATED [UniProt:] synonym: "CADMIUM ION" RELATED [PDBeChem:] synonym: "cadmium(2+) ion" EXACT IUPAC_NAME [IUPAC:] synonym: "cadmium(II) cation" EXACT IUPAC_NAME [IUPAC:] synonym: "Cd2+" RELATED [KEGG COMPOUND:] synonym: "cadmium, ion (Cd2+)" RELATED [ChemIDplus:] synonym: "cadmium(2+)" EXACT IUPAC_NAME [IUPAC:] synonym: "Cd(2+)" RELATED [IUPAC:] synonym: "Cd" RELATED FORMULA [KEGG COMPOUND:] synonym: "[Cd++]" RELATED SMILES [ChEBI:] synonym: "InChI=1S/Cd/q+2" RELATED InChI [ChEBI:] synonym: "InChIKey=WLZRMCYVCSSEQC-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: PDBeChem:CD "PDBeChem" xref: KEGG COMPOUND:C01413 "KEGG COMPOUND" xref: Gmelin:6851 "Gmelin Registry Number" xref: ChemIDplus:22537-48-0 "CAS Registry Number" is_a: CHEBI:60240 is_a: CHEBI:63063 is_a: CHEBI:30412 [Term] id: CHEBI:33006 name: chromium(2+) def: "A chromium cation that has formula Cr." [] synonym: "chromium(2+) ion" EXACT IUPAC_NAME [IUPAC:] synonym: "chromium(2+)" EXACT IUPAC_NAME [IUPAC:] synonym: "chromous ion" RELATED [ChemIDplus:] synonym: "chromium(II) cation" EXACT IUPAC_NAME [IUPAC:] synonym: "Cr(2+)" RELATED [IUPAC:] synonym: "Cr" RELATED FORMULA [ChEBI:] synonym: "[Cr++]" RELATED SMILES [ChEBI:] synonym: "InChI=1S/Cr/q+2" RELATED InChI [ChEBI:] synonym: "InChIKey=UZEDIBTVIIJELN-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: Gmelin:6854 "Gmelin Registry Number" xref: ChemIDplus:22541-79-3 "CAS Registry Number" is_a: CHEBI:30412 is_a: CHEBI:33516 is_a: CHEBI:60240 [Term] id: CHEBI:49588 name: europium(2+) alt_id: CHEBI:32997 alt_id: CHEBI:49587 def: "A divalent metal cation that has formula Eu." [] synonym: "europium(2+) ion" EXACT IUPAC_NAME [IUPAC:] synonym: "europium(2+)" EXACT IUPAC_NAME [IUPAC:] synonym: "europium(II) cation" EXACT IUPAC_NAME [IUPAC:] synonym: "Eu(2+)" RELATED [IUPAC:] synonym: "EUROPIUM ION" RELATED [PDBeChem:] synonym: "Eu" RELATED FORMULA [ChEBI:] synonym: "[Eu++]" RELATED SMILES [ChEBI:] synonym: "InChI=1S/Eu/q+2" RELATED InChI [ChEBI:] synonym: "InChIKey=MGVUQZZTJGLWJV-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: Gmelin:6844 "Gmelin Registry Number" xref: PDBeChem:EU "PDBeChem" is_a: CHEBI:60240 is_a: CHEBI:30412 [Term] id: CHEBI:30549 name: germanium(2+) def: "A divalent metal cation that has formula Ge." [] synonym: "germanium(II) cation" EXACT IUPAC_NAME [IUPAC:] synonym: "Ge(2+)" RELATED [IUPAC:] synonym: "germanium(2+)" EXACT IUPAC_NAME [IUPAC:] synonym: "germanium(2+) ion" EXACT IUPAC_NAME [IUPAC:] synonym: "Ge" RELATED FORMULA [ChEBI:] synonym: "[Ge++]" RELATED SMILES [ChEBI:] synonym: "InChI=1S/Ge/q+2" RELATED InChI [ChEBI:] synonym: "InChIKey=IMJFOQOIQKIVNJ-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: Gmelin:30724 "Gmelin Registry Number" is_a: CHEBI:30412 is_a: CHEBI:60240 [Term] id: CHEBI:49807 name: lead(2+) alt_id: CHEBI:30179 alt_id: CHEBI:49804 def: "A lead cation that has formula Pb." [] synonym: "lead(II) cation" EXACT IUPAC_NAME [IUPAC:] synonym: "Pb(2+)" RELATED [IUPAC:] synonym: "lead(2+) ion" EXACT IUPAC_NAME [IUPAC:] synonym: "Lead, ion (Pb2+)" RELATED [ChemIDplus:] synonym: "lead(2+)" EXACT IUPAC_NAME [IUPAC:] synonym: "LEAD (II) ION" RELATED [PDBeChem:] synonym: "Pb" RELATED FORMULA [ChEBI:] synonym: "[Pb++]" RELATED SMILES [ChEBI:] synonym: "InChI=1S/Pb/q+2" RELATED InChI [ChEBI:] synonym: "InChIKey=RVPVRDXYQKGNMQ-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: Gmelin:6861 "Gmelin Registry Number" xref: ChemIDplus:14280-50-3 "CAS Registry Number" xref: PDBeChem:PB "PDBeChem" is_a: CHEBI:60252 is_a: CHEBI:60240 is_a: CHEBI:30412 [Term] id: CHEBI:31767 name: lead diacetate def: "A lead coordination entity that has formula 2C2H3O2.Pb." [] synonym: "Bleidiazetat" RELATED [ChEBI:] synonym: "Bleidiacetat" RELATED [ChEBI:] synonym: "lead diacetate" EXACT [ChemIDplus:] synonym: "lead acetate" RELATED [ChemIDplus:] synonym: "lead acetate (anhydrous)" RELATED [ChemIDplus:] synonym: "Blei(II)-azetat" RELATED [ChEBI:] synonym: "salt of Saturn" RELATED [ChEBI:] synonym: "Bleizucker" RELATED [ChEBI:] synonym: "sugar of lead" RELATED [ChemIDplus:] synonym: "plumbous acetate" RELATED [ChemIDplus:] synonym: "lead(2+) acetate" EXACT IUPAC_NAME [IUPAC:] synonym: "lead(II) acetate" EXACT IUPAC_NAME [IUPAC:] synonym: "bis(acetato-kappa(2)O,O')lead" EXACT IUPAC_NAME [IUPAC:] synonym: "2C2H3O2.Pb" RELATED FORMULA [KEGG DRUG:] synonym: "C4H6O4Pb" RELATED FORMULA [ChEBI:] synonym: "CC1=[O][Pb]2(O1)OC(C)=[O]2" RELATED SMILES [ChEBI:] synonym: "InChI=1S/2C2H4O2.Pb/c2*1-2(3)4;/h2*1H3,(H,3,4);/q;;+2/p-2" RELATED InChI [ChEBI:] synonym: "InChIKey=GUWSLQUAAYEZAF-UHFFFAOYSA-L" RELATED InChIKey [ChEBI:] xref: Beilstein:1099661 "Beilstein Registry Number" xref: Beilstein:6919265 "Beilstein Registry Number" xref: Gmelin:1042008 "Gmelin Registry Number" xref: Gmelin:21797 "Gmelin Registry Number" xref: KEGG COMPOUND:301-04-2 "CAS Registry Number" xref: KEGG DRUG:D01945 "KEGG DRUG" xref: Gmelin:327405 "Gmelin Registry Number" xref: ChemIDplus:301-04-2 "CAS Registry Number" relationship: has_role CHEBI:24852 relationship: has_part CHEBI:49807 is_a: CHEBI:37185 [Term] id: CHEBI:33112 name: lead diacetate trihydrate def: "A lead coordination entity that has formula C4H12O7Pb." [] synonym: "lead diacetate--water (1/3)" EXACT IUPAC_NAME [IUPAC:] synonym: "lead acetate trihydrate" RELATED [ChemIDplus:] synonym: "lead(II) acetate trihydrate" RELATED [ChemIDplus:] synonym: "lead diacetate trihydrate" EXACT [ChemIDplus:] synonym: "C4H12O7Pb" RELATED FORMULA [ChEBI:] synonym: "[H]O[H].[H]O[H].[H]O[H].CC1=[O][Pb]2(O1)OC(C)=[O]2" RELATED SMILES [ChEBI:] synonym: "InChI=1S/2C2H4O2.3H2O.Pb/c2*1-2(3)4;;;;/h2*1H3,(H,3,4);3*1H2;/q;;;;;+2/p-2" RELATED InChI [ChEBI:] synonym: "InChIKey=MCEUZMYFCCOOQO-UHFFFAOYSA-L" RELATED InChIKey [ChEBI:] xref: Beilstein:3730298 "Beilstein Registry Number" xref: Gmelin:44555 "Gmelin Registry Number" xref: ChemIDplus:6080-56-4 "CAS Registry Number" is_a: CHEBI:35505 is_a: CHEBI:37185 relationship: has_part CHEBI:31767 [Term] id: CHEBI:30475 name: tin(2+) def: "A divalent metal cation that has formula Sn." [] synonym: "Sn(2+)" RELATED [IUPAC:] synonym: "tin(2+) ion" EXACT IUPAC_NAME [IUPAC:] synonym: "Tin, ion (Sn2+)" RELATED [ChemIDplus:] synonym: "tin(2+)" EXACT IUPAC_NAME [IUPAC:] synonym: "tin(II) cation" EXACT IUPAC_NAME [IUPAC:] synonym: "Sn" RELATED FORMULA [ChEBI:] synonym: "[Sn++]" RELATED SMILES [ChEBI:] synonym: "InChI=1S/Sn/q+2" RELATED InChI [ChEBI:] synonym: "InChIKey=IUTCEZPPWBHGIX-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: ChemIDplus:22541-90-8 "CAS Registry Number" xref: Gmelin:6867 "Gmelin Registry Number" is_a: CHEBI:30412 is_a: CHEBI:60240 [Term] id: CHEBI:30691 name: osmium(2+) def: "A divalent metal cation that has formula Os." [] synonym: "osmium(II) cation" EXACT IUPAC_NAME [IUPAC:] synonym: "osmium(2+)" EXACT IUPAC_NAME [IUPAC:] synonym: "Os(2+)" RELATED [IUPAC:] synonym: "osmium(2+) ion" EXACT IUPAC_NAME [IUPAC:] synonym: "Os" RELATED FORMULA [ChEBI:] synonym: "[Os++]" RELATED SMILES [ChEBI:] synonym: "InChI=1S/Os/q+2" RELATED InChI [ChEBI:] synonym: "InChIKey=MQZFZDIZKWNWFX-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: Gmelin:104915 "Gmelin Registry Number" is_a: CHEBI:30412 is_a: CHEBI:60240 [Term] id: CHEBI:49832 name: platinum(2+) alt_id: CHEBI:29787 alt_id: CHEBI:49831 def: "A platinum cation that has formula Pt." [] synonym: "platinum, ion (Pt2+)" RELATED [ChemIDplus:] synonym: "platinum(2+) ion" EXACT IUPAC_NAME [IUPAC:] synonym: "platinum(II) cation" EXACT IUPAC_NAME [IUPAC:] synonym: "platinum(2+)" EXACT IUPAC_NAME [IUPAC:] synonym: "Pt(2+)" RELATED [IUPAC:] synonym: "PLATINUM (II) ION" RELATED [PDBeChem:] synonym: "Pt" RELATED FORMULA [ChEBI:] synonym: "[Pt++]" RELATED SMILES [ChEBI:] synonym: "InChI=1S/Pt/q+2" RELATED InChI [ChEBI:] synonym: "InChIKey=HRGDZIGMBDGFTC-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: Gmelin:53480 "Gmelin Registry Number" xref: ChemIDplus:22542-10-5 "CAS Registry Number" xref: PDBeChem:PT "PDBeChem" is_a: CHEBI:60240 is_a: CHEBI:63526 is_a: CHEBI:30412 [Term] id: CHEBI:30686 name: ruthenium(2+) def: "A divalent metal cation that has formula Ru." [] synonym: "Ruthenium, ion(2+)" RELATED [ChemIDplus:] synonym: "ruthenium(II) cation" EXACT IUPAC_NAME [IUPAC:] synonym: "ruthenium(2+)" EXACT IUPAC_NAME [IUPAC:] synonym: "ruthenium(2+) ion" EXACT IUPAC_NAME [IUPAC:] synonym: "Ru(2+)" RELATED [IUPAC:] synonym: "Ru" RELATED FORMULA [ChEBI:] synonym: "[Ru++]" RELATED SMILES [ChEBI:] synonym: "InChI=1S/Ru/q+2" RELATED InChI [ChEBI:] synonym: "InChIKey=YAYGSLOSTXKUBW-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: ChemIDplus:22541-59-9 "CAS Registry Number" xref: Gmelin:85872 "Gmelin Registry Number" is_a: CHEBI:30412 is_a: CHEBI:60240 [Term] id: CHEBI:32993 name: uranium(2+) def: "An uranium cation that has formula U." [] synonym: "uranium(2+) ion" EXACT IUPAC_NAME [IUPAC:] synonym: "uranium(II) cation" EXACT IUPAC_NAME [IUPAC:] synonym: "uranium(2+)" EXACT IUPAC_NAME [IUPAC:] synonym: "U(2+)" RELATED [ChEBI:] synonym: "U" RELATED FORMULA [ChEBI:] synonym: "[U++]" RELATED SMILES [ChEBI:] synonym: "InChI=1S/U/q+2" RELATED InChI [ChEBI:] synonym: "InChIKey=APTCBRLTBRHWIW-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: Gmelin:203187 "Gmelin Registry Number" is_a: CHEBI:30412 is_a: CHEBI:33500 is_a: CHEBI:60240 [Term] id: CHEBI:33004 name: vanadium(2+) def: "A vanadium cation that has formula V." [] synonym: "V(2+)" RELATED [IUPAC:] synonym: "vanadium(2+) ion" EXACT IUPAC_NAME [IUPAC:] synonym: "vanadium(II) cation" EXACT IUPAC_NAME [IUPAC:] synonym: "vanadium(2+), ion" RELATED [ChemIDplus:] synonym: "vanadium(2+)" EXACT IUPAC_NAME [IUPAC:] synonym: "V" RELATED FORMULA [ChEBI:] synonym: "[V++]" RELATED SMILES [ChEBI:] synonym: "InChI=1S/V/q+2" RELATED InChI [ChEBI:] synonym: "InChIKey=BLSRSXLJVJVBIK-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: ChemIDplus:15121-26-3 "CAS Registry Number" xref: Gmelin:6864 "Gmelin Registry Number" is_a: CHEBI:30412 is_a: CHEBI:35172 is_a: CHEBI:60240 [Term] id: CHEBI:49978 name: yttrium(2+) alt_id: CHEBI:49977 alt_id: CHEBI:33334 def: "A divalent metal cation that has formula Y." [] synonym: "YTTRIUM ION" RELATED [PDBeChem:] synonym: "yttrium(2+)" EXACT IUPAC_NAME [IUPAC:] synonym: "yttrium(II) cation" EXACT IUPAC_NAME [IUPAC:] synonym: "Y(2+)" RELATED [ChEBI:] synonym: "yttrium(2+) ion" EXACT IUPAC_NAME [IUPAC:] synonym: "Y" RELATED FORMULA [ChEBI:] synonym: "[Y++]" RELATED SMILES [ChEBI:] synonym: "InChI=1S/Y/q+2" RELATED InChI [ChEBI:] synonym: "InChIKey=KAJPZYFHSCFBCI-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: PDBeChem:Y1 "PDBeChem" xref: Gmelin:369730 "Gmelin Registry Number" is_a: CHEBI:60240 is_a: CHEBI:30412 [Term] id: CHEBI:35104 name: strontium(2+) alt_id: CHEBI:33514 alt_id: CHEBI:34982 alt_id: CHEBI:49891 def: "A strontium cation that has formula Sr." [] synonym: "Sr(2+)" RELATED [UniProt:] synonym: "strontium(2+) ion" EXACT IUPAC_NAME [IUPAC:] synonym: "strontium(II) cation" EXACT IUPAC_NAME [IUPAC:] synonym: "strontium(2+)" EXACT IUPAC_NAME [IUPAC:] synonym: "Sr(2+)" RELATED [IUPAC:] synonym: "Strontium" RELATED [KEGG COMPOUND:] synonym: "Sr2+" RELATED [KEGG COMPOUND:] synonym: "STRONTIUM ION" RELATED [PDBeChem:] synonym: "Sr" RELATED FORMULA [KEGG COMPOUND:] synonym: "[Sr++]" RELATED SMILES [ChEBI:] synonym: "InChI=1S/Sr/q+2" RELATED InChI [ChEBI:] synonym: "InChIKey=PWYYWQHXAPXYMF-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: Gmelin:6868 "Gmelin Registry Number" xref: ChemIDplus:22537-39-9 "CAS Registry Number" xref: NIST Chemistry WebBook:22537-39-9 "CAS Registry Number" xref: KEGG COMPOUND:C13884 "KEGG COMPOUND" xref: PDBeChem:SR "PDBeChem" is_a: CHEBI:39129 is_a: CHEBI:60240 is_a: CHEBI:30412 [Term] id: CHEBI:30502 name: beryllium(2+) def: "A beryllium cation that has formula Be." [] synonym: "beryllium(2+)" EXACT IUPAC_NAME [IUPAC:] synonym: "beryllium(II) cation" EXACT IUPAC_NAME [IUPAC:] synonym: "Be(2+)" RELATED [IUPAC:] synonym: "beryllium(2+) ion" EXACT IUPAC_NAME [IUPAC:] synonym: "Be" RELATED FORMULA [ChEBI:] synonym: "[Be++]" RELATED SMILES [ChEBI:] synonym: "InChI=1S/Be/q+2" RELATED InChI [ChEBI:] synonym: "InChIKey=PWOSZCQLSAMRQW-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: Gmelin:6849 "Gmelin Registry Number" xref: ChemIDplus:22537-20-8 "CAS Registry Number" is_a: CHEBI:30412 is_a: CHEBI:39132 is_a: CHEBI:60240 [Term] id: CHEBI:53473 name: beryllium sulfate def: "A compound of beryllium and sulfate in which the ratio of beryllium (in the +2 oxidation state) to sulfate is 1:1." [] synonym: "Beryllium sulfate" EXACT [ChemIDplus:] synonym: "beryllium sulfate" EXACT IUPAC_NAME [IUPAC:] synonym: "BeSO4" RELATED [NIST Chemistry WebBook:] synonym: "Beryllium sulphate" RELATED [ChemIDplus:] synonym: "BeO4S" RELATED FORMULA [ChEBI:] synonym: "[Be++].[O-]S([O-])(=O)=O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/Be.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+2;/p-2" RELATED InChI [ChEBI:] synonym: "InChIKey=KQHXBDOEECKORE-UHFFFAOYSA-L" RELATED InChIKey [ChEBI:] xref: CiteXplore:11207315 "PubMed citation" xref: CiteXplore:2469014 "PubMed citation" xref: CiteXplore:11423174 "PubMed citation" xref: CiteXplore:8991630 "PubMed citation" xref: CiteXplore:18768897 "PubMed citation" xref: NIST Chemistry WebBook:13510-49-1 "CAS Registry Number" xref: Reaxys:13316867 "Reaxys Registry Number" xref: CiteXplore:11897645 "PubMed citation" xref: Gmelin:8296 "Gmelin Registry Number" xref: CiteXplore:16951350 "PubMed citation" xref: CiteXplore:18250483 "PubMed citation" xref: ChemIDplus:13510-49-1 "CAS Registry Number" is_a: CHEBI:51336 relationship: has_part CHEBI:30502 [Term] id: CHEBI:53502 name: beryllium sulfate tetrahydrate def: "A hydrate of beryllium sulfate containing beryllium (in +2 oxidation state), sulfate and water moieties in the ratio 1:1:4." [] synonym: "Beryllium sulfate tetrahydrate" EXACT [ChemIDplus:] synonym: "beryllium sulfate tetrahydrate" EXACT IUPAC_NAME [IUPAC:] synonym: "Beryllium sulphate tetrahydrate" RELATED [ChemIDplus:] synonym: "Beryllium monosulfate tetrahydrate" RELATED [ChemIDplus:] synonym: "Beryllium sulfate, tetrahydrate (1:1:4)" RELATED [ChemIDplus:] synonym: "beryllium sulfate--water (1/4)" EXACT IUPAC_NAME [IUPAC:] synonym: "BeH8O8S" RELATED FORMULA [ChEBI:] synonym: "[Be++].O.O.O.O.[O-]S([O-])(=O)=O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/Be.H2O4S.4H2O/c;1-5(2,3)4;;;;/h;(H2,1,2,3,4);4*1H2/q+2;;;;;/p-2" RELATED InChI [ChEBI:] synonym: "InChIKey=DIMYTQPLZWDZFE-UHFFFAOYSA-L" RELATED InChIKey [ChEBI:] xref: CiteXplore:11207315 "PubMed citation" xref: ChemIDplus:7787-56-6 "CAS Registry Number" xref: Gmelin:38154 "Gmelin Registry Number" xref: Reaxys:16702373 "Reaxys Registry Number" is_a: CHEBI:35505 relationship: has_part CHEBI:53473 [Term] id: CHEBI:37286 name: gadolinium(2+) def: "An elemental gadolinium that has formula Gd." [] synonym: "gadolinium(2+)" EXACT IUPAC_NAME [IUPAC:] synonym: "Gd(2+)" RELATED [IUPAC:] synonym: "gadolinium(2+) ion" EXACT IUPAC_NAME [IUPAC:] synonym: "gadolinium(II) cation" EXACT IUPAC_NAME [IUPAC:] synonym: "Gd" RELATED FORMULA [ChEBI:] synonym: "[Gd++]" RELATED SMILES [ChEBI:] synonym: "InChI=1S/Gd/q+2" RELATED InChI [ChEBI:] synonym: "InChIKey=UVTDZAPQOTUWGV-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: Gmelin:336961 "Gmelin Registry Number" is_a: CHEBI:37285 is_a: CHEBI:30412 is_a: CHEBI:60240 [Term] id: CHEBI:37317 name: lanthanum(2+) def: "A lanthanum molecular entity that has formula La." [] synonym: "lanthanum(2+)" EXACT IUPAC_NAME [IUPAC:] synonym: "lanthanum(2+) ion" EXACT IUPAC_NAME [IUPAC:] synonym: "La(2+)" RELATED [IUPAC:] synonym: "lanthanum(II) cation" EXACT IUPAC_NAME [IUPAC:] synonym: "La" RELATED FORMULA [ChEBI:] synonym: "[La++]" RELATED SMILES [ChEBI:] synonym: "InChI=1S/La/q+2" RELATED InChI [ChEBI:] synonym: "InChIKey=QPRFPZGRQQKMEX-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: Gmelin:17246 "Gmelin Registry Number" is_a: CHEBI:37215 is_a: CHEBI:30412 is_a: CHEBI:60240 [Term] id: CHEBI:60871 name: selenium(2+) def: "The selenium ion with two positive charges." [] synonym: "selenium dication" RELATED [ChEBI:] synonym: "Se2+" RELATED [SUBMITTER:] synonym: "Se" RELATED FORMULA [ChEBI:] synonym: "[Se++]" RELATED SMILES [ChEBI:] synonym: "InChI=1S/Se/q+2" RELATED InChI [ChEBI:] synonym: "InChIKey=MFSBVGSNNPNWMD-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] is_a: CHEBI:60250 is_a: CHEBI:30412 [Term] id: CHEBI:29108 name: calcium(2+) alt_id: CHEBI:22988 alt_id: CHEBI:48760 alt_id: CHEBI:3308 def: "A calcium cation that has formula Ca." [] synonym: "calcium, doubly charged positive ion" RELATED [NIST Chemistry WebBook:] synonym: "calcium(2+)" EXACT IUPAC_NAME [IUPAC:] synonym: "Ca(2+)" RELATED [UniProt:] synonym: "CALCIUM ION" RELATED [PDBeChem:] synonym: "Ca(2+)" RELATED [IUPAC:] synonym: "Ca2+" RELATED [KEGG COMPOUND:] synonym: "calcium(II) cation" EXACT IUPAC_NAME [IUPAC:] synonym: "calcium(2+) ion" EXACT IUPAC_NAME [IUPAC:] synonym: "Ca" RELATED FORMULA [KEGG COMPOUND:] synonym: "[Ca++]" RELATED SMILES [ChEBI:] synonym: "InChI=1S/Ca/q+2" RELATED InChI [ChEBI:] synonym: "InChIKey=BHPQYMZQTOCNFJ-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: NIST Chemistry WebBook:14127-61-8 "CAS Registry Number" xref: Gmelin:6850 "Gmelin Registry Number" xref: ChemIDplus:14127-61-8 "CAS Registry Number" xref: PDBeChem:CA "PDBeChem" xref: KEGG COMPOUND:C00076 "KEGG COMPOUND" is_a: CHEBI:39123 is_a: CHEBI:60240 is_a: CHEBI:30412 [Term] id: CHEBI:64205 name: calcium nitrate def: "Inorganic nitrate salt of calcium." [] synonym: "anhydrous calcium nitrate" RELATED [ChEBI:] synonym: "Nitric acid, calcium salt" RELATED [ChemIDplus:] synonym: "Lime nitrate" RELATED [ChemIDplus:] synonym: "Norwegian saltpeter" RELATED [ChemIDplus:] synonym: "Calcium(II) nitrate (1:2)" RELATED [ChemIDplus:] synonym: "calcium dinitrate" EXACT IUPAC_NAME [IUPAC:] synonym: "Norge saltpeter" RELATED [ChemIDplus:] synonym: "Saltpeter" RELATED [ChemIDplus:] synonym: "Lime saltpeter" RELATED [ChemIDplus:] synonym: "Calcium saltpeter" RELATED [ChemIDplus:] synonym: "Norway saltpeter" RELATED [ChemIDplus:] synonym: "CaN2O6" RELATED FORMULA [ChEBI:] synonym: "[Ca++].[O-][N+]([O-])=O.[O-][N+]([O-])=O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/Ca.2NO3/c;2*2-1(3)4/q+2;2*-1" RELATED InChI [ChEBI:] synonym: "InChIKey=ZCCIPPOKBCJFDN-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: ChemIDplus:10124-37-5 "CAS Registry Number" xref: CiteXplore:14672118 "PubMed citation" xref: Reaxys:3565319 "Reaxys Registry Number" xref: CiteXplore:19594125 "PubMed citation" xref: CiteXplore:22360256 "PubMed citation" xref: Wikipedia:Calcium_nitrate "Wikipedia" xref: CiteXplore:22307899 "PubMed citation" xref: CiteXplore:15244341 "PubMed citation" xref: CiteXplore:14651109 "PubMed citation" xref: CiteXplore:13717848 "PubMed citation" xref: CiteXplore:18201926 "PubMed citation" xref: CiteXplore:13558529 "PubMed citation" xref: CiteXplore:13495183 "PubMed citation" relationship: has_part CHEBI:29108 is_a: CHEBI:51084 is_a: CHEBI:35156 [Term] id: CHEBI:35156 name: calcium salt synonym: "calcium salts" RELATED [ChEBI:] synonym: "Kalziumsalze" RELATED [ChEBI:] synonym: "Kalziumsalz" RELATED [ChEBI:] is_a: CHEBI:22985 is_a: CHEBI:36364 relationship: has_part CHEBI:29108 [Term] id: CHEBI:3311 name: calcium carbonate def: "A carbonate salt that has formula CO3.Ca." [] synonym: "calcium carbonate" EXACT IUPAC_NAME [IUPAC:] synonym: "Calciumcarbonat" RELATED [ChEBI:] synonym: "carbonic acid calcium salt (1:1)" RELATED [ChemIDplus:] synonym: "Kalziumkarbonat" RELATED [ChEBI:] synonym: "kohlensaurer Kalk" RELATED [ChEBI:] synonym: "calcium carbonate (1:1)" RELATED [ChemIDplus:] synonym: "calcium trioxidocarbonate" EXACT IUPAC_NAME [IUPAC:] synonym: "carbonato de calcio" RELATED [ChEBI:] synonym: "carbonate de calcium" RELATED [ChEBI:] synonym: "CaCO3" RELATED [IUPAC:] synonym: "Calcium carbonate" EXACT [KEGG COMPOUND:] synonym: "CO3.Ca" RELATED FORMULA [KEGG COMPOUND:] synonym: "CCaO3" RELATED FORMULA [ChEBI:] synonym: "[Ca++].[O-]C([O-])=O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/CH2O3.Ca/c2-1(3)4;/h(H2,2,3,4);/q;+2/p-2" RELATED InChI [ChEBI:] synonym: "InChIKey=VTYYLEPIZMXCLO-UHFFFAOYSA-L" RELATED InChIKey [ChEBI:] xref: KEGG COMPOUND:C08129 "KEGG COMPOUND" xref: NIST Chemistry WebBook:471-34-1 "CAS Registry Number" xref: KEGG COMPOUND:471-34-1 "CAS Registry Number" xref: ChemIDplus:471-34-1 "CAS Registry Number" is_a: CHEBI:35156 is_a: CHEBI:46721 is_a: CHEBI:64708 relationship: has_role CHEBI:65265 [Term] id: CHEBI:46719 name: calcite synonym: "Kalzit" RELATED [ChEBI:] synonym: "Calcit" RELATED [ChEBI:] synonym: "calcite" EXACT [ChEBI:] synonym: "calcita" RELATED [ChEBI:] synonym: "CCaO3" RELATED FORMULA [ChEBI:] xref: ChemIDplus:13397-26-7 "CAS Registry Number" is_a: CHEBI:3311 is_a: CHEBI:46720 [Term] id: CHEBI:52239 name: aragonite synonym: "Aragonit" RELATED [ChEBI:] synonym: "aragonite" EXACT [ChEBI:] synonym: "aragonita" RELATED [ChEBI:] synonym: "aragonito" RELATED [ChEBI:] synonym: "CCaO3" RELATED FORMULA [ChEBI:] xref: ChemIDplus:14791-73-2 "CAS Registry Number" is_a: CHEBI:3311 is_a: CHEBI:46720 [Term] id: CHEBI:52241 name: vaterite synonym: "Vaterit" RELATED [ChEBI:] synonym: "vaterite" EXACT [ChEBI:] synonym: "mu-calcium carbonate" RELATED [ChEBI:] synonym: "mu-CaCO3" RELATED [ChEBI:] synonym: "CCaO3" RELATED FORMULA [ChEBI:] is_a: CHEBI:3311 is_a: CHEBI:46720 [Term] id: CHEBI:31338 name: calcium dibromide def: "A calcium salt that has formula Br2Ca." [] synonym: "Calcium bromide" RELATED [KEGG COMPOUND:] synonym: "CaBr2" RELATED [IUPAC:] synonym: "calcium dibromide" EXACT IUPAC_NAME [IUPAC:] synonym: "Kalziumbromid" RELATED [ChEBI:] synonym: "Br2Ca" RELATED FORMULA [KEGG COMPOUND:] synonym: "[Ca++].[Br-].[Br-]" RELATED SMILES [ChEBI:] synonym: "InChI=1S/2BrH.Ca/h2*1H;/q;;+2/p-2" RELATED InChI [ChEBI:] synonym: "InChIKey=WGEFECGEFUFIQW-UHFFFAOYSA-L" RELATED InChIKey [ChEBI:] xref: NIST Chemistry WebBook:7789-41-5 "CAS Registry Number" xref: KEGG COMPOUND:7789-41-5 "CAS Registry Number" xref: KEGG COMPOUND:C13189 "KEGG COMPOUND" xref: ChemIDplus:7789-41-5 "CAS Registry Number" is_a: CHEBI:35156 [Term] id: CHEBI:35433 name: calcium bis(dihydrogenphosphate) alt_id: CHEBI:32597 alt_id: CHEBI:34855 def: "A calcium salt that has formula CaH4O8P2." [] synonym: "calcium bis(dihydrogenphosphate)" EXACT IUPAC_NAME [IUPAC:] synonym: "phosphoric acid, calcium salt (2:1)" RELATED [ChemIDplus:] synonym: "monocalcium phosphate, monobasic" RELATED [ChemIDplus:] synonym: "Ca(H2PO4)2" RELATED [IUPAC:] synonym: "calcium superphosphate" RELATED [ChemIDplus:] synonym: "primary calcium phosphate" RELATED [ChemIDplus:] synonym: "acid calcium phosphate" RELATED [ChemIDplus:] synonym: "monocalcium orthophosphate" RELATED [ChemIDplus:] synonym: "calcium dihydrogen orthophosphate" RELATED [ChemIDplus:] synonym: "calcium bis(dihydrogen phosphate)" RELATED [ChemIDplus:] synonym: "Calcium biphosphate" RELATED [KEGG COMPOUND:] synonym: "Monocalcium phosphate" RELATED [KEGG COMPOUND:] synonym: "Monobasic calcium phosphate" RELATED [KEGG COMPOUND:] synonym: "CaH4O8P2" RELATED FORMULA [ChEBI:] synonym: "[Ca++].OP(O)([O-])=O.OP(O)([O-])=O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/Ca.2H3O4P/c;2*1-5(2,3)4/h;2*(H3,1,2,3,4)/q+2;;/p-2" RELATED InChI [ChEBI:] synonym: "InChIKey=YYRMJZQKEFZXMX-UHFFFAOYSA-L" RELATED InChIKey [ChEBI:] xref: ChemIDplus:7758-23-8 "CAS Registry Number" xref: KEGG COMPOUND:7758-23-8 "CAS Registry Number" xref: KEGG COMPOUND:C13556 "KEGG COMPOUND" is_a: CHEBI:35156 [Term] id: CHEBI:32598 name: calcium diphosphate def: "A calcium salt that has formula Ca2O7P2." [] synonym: "Ca2P2O7" RELATED [IUPAC:] synonym: "calcium diphosphate" EXACT IUPAC_NAME [IUPAC:] synonym: "calcium pyrophosphate" RELATED [ChEBI:] synonym: "diphosphoric acid, calcium salt (2:1)" RELATED [ChemIDplus:] synonym: "Ca2O7P2" RELATED FORMULA [ChEBI:] synonym: "[Ca++].[Ca++].[O-]P([O-])(=O)OP([O-])([O-])=O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/2Ca.H4O7P2/c;;1-8(2,3)7-9(4,5)6/h;;(H2,1,2,3)(H2,4,5,6)/q2*+2;/p-4" RELATED InChI [ChEBI:] synonym: "InChIKey=JUNWLZAGQLJVLR-UHFFFAOYSA-J" RELATED InChIKey [ChEBI:] xref: ChemIDplus:35405-51-7 "CAS Registry Number" is_a: CHEBI:35156 relationship: has_part CHEBI:18361 [Term] id: CHEBI:32596 name: calcium hydrogenphosphate def: "A calcium salt that has formula CaHO4P." [] synonym: "monocalcium acid phosphate" RELATED [ChemIDplus:] synonym: "CaHPO4" RELATED [IUPAC:] synonym: "calcium hydrogen phosphate" RELATED [ChemIDplus:] synonym: "calcium hydrogenphosphate" EXACT IUPAC_NAME [IUPAC:] synonym: "dibasic calcium phosphate" RELATED [ChemIDplus:] synonym: "secondary calcium phosphate" RELATED [ChemIDplus:] synonym: "calcium phosphate dibasic anhydrous" RELATED [ChemIDplus:] synonym: "phosphoric acid, calcium salt (1:1)" RELATED [ChemIDplus:] synonym: "CaHO4P" RELATED FORMULA [ChEBI:] synonym: "[Ca++].[H]OP([O-])([O-])=O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/Ca.H3O4P/c;1-5(2,3)4/h;(H3,1,2,3,4)/q+2;/p-2" RELATED InChI [ChEBI:] synonym: "InChIKey=FUFJGUQYACFECW-UHFFFAOYSA-L" RELATED InChIKey [ChEBI:] xref: ChemIDplus:7757-93-9 "CAS Registry Number" is_a: CHEBI:35156 [Term] id: CHEBI:4496 name: calcium hydrogenphosphate dihydrate def: "A calcium salt that has formula HO4P.2H2O.Ca." [] synonym: "CaHPO4.2H2O" RELATED [IUPAC:] synonym: "Dibasic calcium phosphate" RELATED [KEGG COMPOUND:] synonym: "Dibasic calcium phosphate dihydrate" RELATED [KEGG COMPOUND:] synonym: "calcium monohydrogen phosphate dihydrate" RELATED [ChemIDplus:] synonym: "phosphoric acid, calcium salt (1:1), dihydrate" RELATED [ChemIDplus:] synonym: "calcium hydrogenphosphate--water (1/2)" EXACT IUPAC_NAME [IUPAC:] synonym: "HO4P.2H2O.Ca" RELATED FORMULA [KEGG COMPOUND:] synonym: "CaH5O6P" RELATED FORMULA [ChEBI:] synonym: "[Ca++].[H]O[H].[H]O[H].[H]OP([O-])([O-])=O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/Ca.H3O4P.2H2O/c;1-5(2,3)4;;/h;(H3,1,2,3,4);2*1H2/q+2;;;/p-2" RELATED InChI [ChEBI:] synonym: "InChIKey=XAAHAAMILDNBPS-UHFFFAOYSA-L" RELATED InChIKey [ChEBI:] xref: KEGG COMPOUND:7789-77-7 "CAS Registry Number" xref: KEGG COMPOUND:C08135 "KEGG COMPOUND" xref: ChemIDplus:7789-77-7 "CAS Registry Number" is_a: CHEBI:35156 is_a: CHEBI:35505 [Term] id: CHEBI:31346 name: calcium sulfate def: "A calcium salt that has formula CaO4S." [] synonym: "anhydrous gypsum" RELATED [NIST Chemistry WebBook:] synonym: "calcium sulphate" RELATED [ChEBI:] synonym: "Calcium sulfate" EXACT [KEGG COMPOUND:] synonym: "calcium sulfate" EXACT IUPAC_NAME [IUPAC:] synonym: "CaSO4" RELATED [IUPAC:] synonym: "calcium sulfate, anhydrous" RELATED [NIST Chemistry WebBook:] synonym: "Kalziumsulfat" RELATED [ChEBI:] synonym: "CaO4S" RELATED FORMULA [ChEBI:] synonym: "O4S.Ca" RELATED FORMULA [KEGG COMPOUND:] synonym: "[Ca++].[O-]S([O-])(=O)=O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/Ca.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+2;/p-2" RELATED InChI [ChEBI:] synonym: "InChIKey=OSGAYBCDTDRGGQ-UHFFFAOYSA-L" RELATED InChIKey [ChEBI:] xref: NIST Chemistry WebBook:7778-18-9 "CAS Registry Number" xref: KEGG COMPOUND:7778-18-9 "CAS Registry Number" xref: ChemIDplus:7778-18-9 "CAS Registry Number" xref: KEGG COMPOUND:C13194 "KEGG COMPOUND" is_a: CHEBI:35156 [Term] id: CHEBI:32583 name: calcium sulfate dihydrate def: "A calcium salt that has formula CaH4O6S." [] synonym: "calcium sulfate dihydrate" EXACT [IUPAC:] synonym: "calcium(II) sulfate, dihydrate (1:1:2)" RELATED [ChemIDplus:] synonym: "sulfuric acid, calcium(2+) salt, dihydrate" RELATED [ChemIDplus:] synonym: "calcium sulfate--water (1/2)" EXACT IUPAC_NAME [IUPAC:] synonym: "sulfuric acid, calcium salt (1:1), dihydrate" RELATED [ChemIDplus:] synonym: "CaSO4.2H2O" RELATED [IUPAC:] synonym: "CaH4O6S" RELATED FORMULA [ChEBI:] synonym: "[Ca++].[H]O[H].[H]O[H].[O-]S([O-])(=O)=O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/Ca.H2O4S.2H2O/c;1-5(2,3)4;;/h;(H2,1,2,3,4);2*1H2/q+2;;;/p-2" RELATED InChI [ChEBI:] synonym: "InChIKey=PASHVRUKOFIRIK-UHFFFAOYSA-L" RELATED InChIKey [ChEBI:] xref: Gmelin:7487 "Gmelin Registry Number" xref: ChemIDplus:10101-41-4 "CAS Registry Number" is_a: CHEBI:35156 is_a: CHEBI:35505 relationship: has_part CHEBI:31346 [Term] id: CHEBI:48838 name: gypsum synonym: "aljez" RELATED [ChEBI:] synonym: "gypsum" EXACT [ChemIDplus:] synonym: "gypsite" RELATED [ChemIDplus:] synonym: "yeso" RELATED [ChEBI:] synonym: "gypse" RELATED [ChEBI:] synonym: "Gips" RELATED [ChemIDplus:] synonym: "CaH4O6S" RELATED FORMULA [ChEBI:] xref: Gmelin:1279356 "Gmelin Registry Number" xref: ChemIDplus:13397-24-5 "CAS Registry Number" xref: Gmelin:1419737 "Gmelin Registry Number" xref: Gmelin:830889 "Gmelin Registry Number" xref: Gmelin:17420 "Gmelin Registry Number" is_a: CHEBI:32583 [Term] id: CHEBI:48839 name: selenite gypsum is_a: CHEBI:48838 [Term] id: CHEBI:32584 name: calcium sulfate hemihydrate def: "A calcium salt that has formula Ca2H2S2O9." [] synonym: "Gipshalbhydrat" RELATED [ChEBI:] synonym: "gypsum hemihydrate" RELATED [ChemIDplus:] synonym: "calcium sulphate hemihydrate" RELATED [ChEBI:] synonym: "2CaSO4.H2O" RELATED [IUPAC:] synonym: "plaster of Paris" RELATED [ChemIDplus:] synonym: "calcium sulfate--water (2/1)" EXACT IUPAC_NAME [IUPAC:] synonym: "Ca2H2S2O9" RELATED FORMULA [ChEBI:] synonym: "[Ca++].[Ca++].[H]O[H].[O-]S([O-])(=O)=O.[O-]S([O-])(=O)=O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/2Ca.2H2O4S.H2O/c;;2*1-5(2,3)4;/h;;2*(H2,1,2,3,4);1H2/q2*+2;;;/p-4" RELATED InChI [ChEBI:] synonym: "InChIKey=ZOMBKNNSYQHRCA-UHFFFAOYSA-J" RELATED InChIKey [ChEBI:] xref: ChemIDplus:26499-65-0 "CAS Registry Number" is_a: CHEBI:35156 is_a: CHEBI:35505 [Term] id: CHEBI:9679 name: tricalcium bis(phosphate) def: "A calcium salt that has formula Ca3O8P2." [] synonym: "Tricalcium phosphate" RELATED [KEGG COMPOUND:] synonym: "tricalcium bis(phosphate)" EXACT IUPAC_NAME [IUPAC:] synonym: "Calcigenol Simple" RELATED [ChemIDplus:] synonym: "calcium phosphate" RELATED [ChemIDplus:] synonym: "tribasic calcium phosphate" RELATED [ChemIDplus:] synonym: "Calcium phosphate tribasic" RELATED [KEGG COMPOUND:] synonym: "tricalcium orthophosphate" RELATED [ChemIDplus:] synonym: "tricalcium diphosphate" RELATED [ChemIDplus:] synonym: "Synthos" RELATED [KEGG COMPOUND:] synonym: "Ca3(PO4)2" RELATED [IUPAC:] synonym: "tertiary calcium phosphate" RELATED [ChemIDplus:] synonym: "calcium orthophosphate" RELATED [ChemIDplus:] synonym: "Ca3O8P2" RELATED FORMULA [ChEBI:] synonym: "[Ca++].[Ca++].[Ca++].[O-]P([O-])([O-])=O.[O-]P([O-])([O-])=O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/3Ca.2H3O4P/c;;;2*1-5(2,3)4/h;;;2*(H3,1,2,3,4)/q3*+2;;/p-6" RELATED InChI [ChEBI:] synonym: "InChIKey=QORWJWZARLRLPR-UHFFFAOYSA-H" RELATED InChIKey [ChEBI:] xref: KEGG COMPOUND:C08136 "KEGG COMPOUND" xref: ChemIDplus:7758-87-4 "CAS Registry Number" xref: KEGG COMPOUND:7758-87-4 "CAS Registry Number" is_a: CHEBI:35156 [Term] id: CHEBI:35437 name: calcium difluoride def: "A calcium salt that has formula CaF2." [] synonym: "CaF2" RELATED [IUPAC:] synonym: "fluorite" RELATED [NIST Chemistry WebBook:] synonym: "Kalziumfluorid" RELATED [ChEBI:] synonym: "calcium difluoride" EXACT IUPAC_NAME [IUPAC:] synonym: "calcium fluoride" RELATED [ChemIDplus:] synonym: "Kalziumdifluorid" RELATED [ChEBI:] synonym: "CaF2" RELATED FORMULA [ChEBI:] synonym: "[F-].[F-].[Ca++]" RELATED SMILES [ChEBI:] synonym: "InChI=1S/Ca.2FH/h;2*1H/q+2;;/p-2" RELATED InChI [ChEBI:] synonym: "InChIKey=WUKWITHWXAAZEY-UHFFFAOYSA-L" RELATED InChIKey [ChEBI:] xref: ChemIDplus:7789-75-5 "CAS Registry Number" xref: NIST Chemistry WebBook:7789-75-5 "CAS Registry Number" xref: Gmelin:18380 "Gmelin Registry Number" is_a: CHEBI:35156 [Term] id: CHEBI:3310 name: calcium acetate def: "The calcium salt of acetic acid. It is used, commonly as a hydrate, to treat hyperphosphataemia (excess phosphate in the blood) in patients with kidney disease: the calcium ion combines with dietary phosphate to form (insoluble) calcium phosphate, which is excreted in the faeces." [] synonym: "brown acetate of lime" RELATED [ChemIDplus:] synonym: "calcium diacetate" EXACT IUPAC_NAME [IUPAC:] synonym: "calcium ethanoate" RELATED [ChEBI:] synonym: "Ca(OAc)2" RELATED [ChEBI:] synonym: "acetate of lime" RELATED [ChemIDplus:] synonym: "lime pyrolignite" RELATED [ChemIDplus:] synonym: "lime acetate" RELATED [ChemIDplus:] synonym: "gray acetate of lime" RELATED [ChemIDplus:] synonym: "calcium(II) acetate" RELATED [ChEBI:] synonym: "C4H6CaO4" RELATED FORMULA [ChEBI:] synonym: "[Ca++].CC([O-])=O.CC([O-])=O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/2C2H4O2.Ca/c2*1-2(3)4;/h2*1H3,(H,3,4);/q;;+2/p-2" RELATED InChI [ChEBI:] synonym: "InChIKey=VSGNNIFQASZAOI-UHFFFAOYSA-L" RELATED InChIKey [ChEBI:] xref: KEGG DRUG:D00931 "KEGG DRUG" xref: Gmelin:22320 "Gmelin Registry Number" xref: KEGG DRUG:62-54-4 "CAS Registry Number" xref: DrugBank:DB00258 "DrugBank" xref: Beilstein:3692527 "Beilstein Registry Number" xref: ChemIDplus:62-54-4 "CAS Registry Number" xref: NIST Chemistry WebBook:62-54-4 "CAS Registry Number" is_a: CHEBI:35156 relationship: has_part CHEBI:30089 relationship: has_role CHEBI:38161 [Term] id: CHEBI:59199 name: calcium acetate monohydrate def: "The monohydrate of calcium acetate." [] synonym: "calcium diacetate monohydrate" RELATED [ChEBI:] synonym: "calcium acetate--water (1/1)" EXACT IUPAC_NAME [IUPAC:] synonym: "calcium acetate" RELATED [KEGG DRUG:] synonym: "calcium acetate hydrate (1:2:1)" RELATED [IUPAC:] synonym: "Ca(OAc)2.H2O" RELATED [ChEBI:] synonym: "C4H8CaO5" RELATED FORMULA [ChEBI:] synonym: "O.[Ca++].CC([O-])=O.CC([O-])=O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/2C2H4O2.Ca.H2O/c2*1-2(3)4;;/h2*1H3,(H,3,4);;1H2/q;;+2;/p-2" RELATED InChI [ChEBI:] synonym: "InChIKey=XQKKWWCELHKGKB-UHFFFAOYSA-L" RELATED InChIKey [ChEBI:] xref: ChemIDplus:5743-26-0 "CAS Registry Number" xref: KEGG DRUG:D02257 "KEGG DRUG" xref: DrugBank:DB00258 "DrugBank" xref: Gmelin:44753 "Gmelin Registry Number" is_a: CHEBI:35505 relationship: has_part CHEBI:3310 relationship: has_role CHEBI:38161 [Term] id: CHEBI:3314 name: calcium glucoheptonate def: "The calcium salt of (2xi)-D-gluco-heptonic acid. It is used as a calcium supplement for treatment of hypocalcaemia." [] synonym: "calcium glucoheptonate (1:2)" RELATED [ChemIDplus:] synonym: "glucoheptonato calcico" RELATED INN [ChemIDplus:] synonym: "calcium bis[(2xi)-D-glycero-D-gulo-heptonate]" RELATED [ChEBI:] synonym: "calcium bis[(3R,4S,5R,6R)-2,3,4,5,6,7-hexahydroxyheptanoate]" RELATED [IUPAC:] synonym: "calcii glucoheptonas" RELATED INN [ChemIDplus:] synonym: "calcium glucoheptonate" RELATED INN [KEGG DRUG:] synonym: "calcium bis[(2xi)-D-glycero-D-ido-heptonate]" RELATED [ChEBI:] synonym: "calcium (2xi)-D-gluco-heptonate" RELATED [ChEBI:] synonym: "calcium (2xi)-D-gluco-heptonate (1:2)" EXACT IUPAC_NAME [IUPAC:] synonym: "glucoheptonate de calcium" RELATED INN [ChemIDplus:] synonym: "calcium gluceptate" RELATED [KEGG DRUG:] synonym: "C14H26CaO16" RELATED FORMULA [ChEBI:] synonym: "[Ca++].OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(O)C([O-])=O.OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(O)C([O-])=O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/2C7H14O8.Ca/c2*8-1-2(9)3(10)4(11)5(12)6(13)7(14)15;/h2*2-6,8-13H,1H2,(H,14,15);/q;;+2/p-2/t2*2-,3-,4+,5-,6?;/m11./s1" RELATED InChI [ChEBI:] synonym: "InChIKey=FATUQANACHZLRT-KMRXSBRUSA-L" RELATED InChIKey [ChEBI:] xref: ChemIDplus:29039-00-7 "CAS Registry Number" xref: DrugBank:DB00326 "DrugBank" xref: KEGG DRUG:D00934 "KEGG DRUG" is_a: CHEBI:35156 relationship: has_part CHEBI:59200 [Term] id: CHEBI:5010 name: fenoprofen calcium (anhydrous) def: "The anhydrous form of the calcium salt of fenprofen. The dihydrate form is used as a non-steroidal anti-inflammatory drug for the management of mild to moderate pain and for the relief of pain and inflammation associated with disorders such as arthritis." [] synonym: "calcium 2-(m-phenoxyphenyl)propionate" RELATED [ChEBI:] synonym: "fenoprofen calcium anhydrous" RELATED [ChemIDplus:] synonym: "calcium alpha-(m-phenoxyphenyl)propionate" RELATED [ChEBI:] synonym: "calcium bis[2-(3-phenoxyphenyl)propanoate]" EXACT IUPAC_NAME [IUPAC:] synonym: "Fenprofen calcium" RELATED [KEGG COMPOUND:] synonym: "calcium 2-(3-phenoxyphenyl)propionate" RELATED [ChEBI:] synonym: "calcium alpha-methyl-3-phenoxybenzeneacetate" RELATED [ChEBI:] synonym: "calcium (+-)-2-(3-phenoxyphenyl)propionate" RELATED [ChEBI:] synonym: "anhydrous fenoprofen calcium" RELATED [ChEBI:] synonym: "C30H26CaO6" RELATED FORMULA [ChEBI:] synonym: "[Ca++].CC(C([O-])=O)c1cccc(Oc2ccccc2)c1.CC(C([O-])=O)c1cccc(Oc2ccccc2)c1" RELATED SMILES [ChEBI:] synonym: "InChI=1S/2C15H14O3.Ca/c2*1-11(15(16)17)12-6-5-9-14(10-12)18-13-7-3-2-4-8-13;/h2*2-11H,1H3,(H,16,17);/q;;+2/p-2" RELATED InChI [ChEBI:] synonym: "InChIKey=VHUXSAWXWSTUOD-UHFFFAOYSA-L" RELATED InChIKey [ChEBI:] xref: KEGG COMPOUND:C02539 "KEGG COMPOUND" xref: Reaxys:6029012 "Reaxys Registry Number" xref: ChemIDplus:34597-40-5 "CAS Registry Number" is_a: CHEBI:35156 relationship: has_part CHEBI:60566 relationship: has_role CHEBI:50629 relationship: has_role CHEBI:50630 [Term] id: CHEBI:5005 name: fenoprofen calcium def: "The dihydrate form of the calcium salt of fenoprofen. A non-steroidal anti-inflammatory drug, it is used for the management of mild to moderate pain and for the relief of pain and inflammation associated with disorders such as arthritis. It is pharmacologically similar to aspirin, but causes less gastrointestinal bleeding." [] synonym: "fenoprofen calcium dihydrate" RELATED [ChemIDplus:] synonym: "fenoprofen calcium salt dihydrate" RELATED [ChemIDplus:] synonym: "calcium 2-(3-phenoxyphenyl)propionate dihydrate" RELATED [ChEBI:] synonym: "fenoprofen calcium 2H2O" RELATED [ChEBI:] synonym: "calcium alpha-(m-phenoxyphenyl)propionate dihydrate" RELATED [ChEBI:] synonym: "calcium (+-)-2-(3-phenoxyphenyl)propionate dihydrate" RELATED [ChEBI:] synonym: "calcium (+-)--phenoxyhydratropate dihydrate" RELATED [ChemIDplus:] synonym: "fenoprofen calcium" RELATED INN [ChEBI:] synonym: "(+-)-alpha-methyl-3-phenoxybenzeneacetic acid calcium salt dihydrate" RELATED [ChemIDplus:] synonym: "fenoprofen calcium hydrate" RELATED [DrugBank:] synonym: "calcium 2-(m-phenoxyphenyl)propionate dihydrate" RELATED [ChEBI:] synonym: "calcium alpha-methyl-3-phenoxybenzeneacetate dihydrate" RELATED [ChEBI:] synonym: "C30H30CaO8" RELATED FORMULA [ChEBI:] synonym: "O.O.[Ca++].CC(C([O-])=O)c1cccc(Oc2ccccc2)c1.CC(C([O-])=O)c1cccc(Oc2ccccc2)c1" RELATED SMILES [ChEBI:] synonym: "InChI=1S/2C15H14O3.Ca.2H2O/c2*1-11(15(16)17)12-6-5-9-14(10-12)18-13-7-3-2-4-8-13;;;/h2*2-11H,1H3,(H,16,17);;2*1H2/q;;+2;;/p-2" RELATED InChI [ChEBI:] synonym: "InChIKey=LZPBLUATTGKZBH-UHFFFAOYSA-L" RELATED InChIKey [ChEBI:] xref: KEGG DRUG:D00968 "KEGG DRUG" xref: Reaxys:7614244 "Reaxys Registry Number" xref: KEGG DRUG:53746-45-5 "CAS Registry Number" xref: ChemIDplus:53746-45-5 "CAS Registry Number" xref: DrugBank:DB00573 "DrugBank" is_a: CHEBI:35505 relationship: has_part CHEBI:5010 relationship: has_role CHEBI:35475 relationship: has_role CHEBI:50629 relationship: has_role CHEBI:50630 relationship: has_role CHEBI:35493 relationship: has_role CHEBI:35481 [Term] id: CHEBI:31336 name: calcium glycerophosphate def: "An organic calcium salt having glycerol 2-phosphate(2-) as the counterion." [] synonym: "Calcium beta-glycerophosphate" RELATED [KEGG COMPOUND:] synonym: "beta-glycerophosphoric acid calcium salt" RELATED [ChEBI:] synonym: "1,2,3-Propanetriol, mono(dihydrogen phosphate) calcium salt" RELATED [ChemIDplus:] synonym: "Calcium Glycerophosphate" EXACT [KEGG COMPOUND:] synonym: "calcium 1,3-dihydroxypropan-2-yl phosphate" EXACT IUPAC_NAME [IUPAC:] synonym: "calcium beta-glycerophosphate" RELATED [ChEBI:] synonym: "1,2,3-Propanetriol, mono(dihydrogen phosphate), calcium salt" RELATED [ChemIDplus:] synonym: "C3H7CaO6P" RELATED FORMULA [ChEBI:] synonym: "[Ca++].OCC(CO)OP([O-])([O-])=O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C3H9O6P.Ca/c4-1-3(2-5)9-10(6,7)8;/h3-5H,1-2H2,(H2,6,7,8);/q;+2/p-2" RELATED InChI [ChEBI:] synonym: "InChIKey=UHHRFSOMMCWGSO-UHFFFAOYSA-L" RELATED InChIKey [ChEBI:] xref: KEGG COMPOUND:27214-00-2 "CAS Registry Number" xref: KEGG COMPOUND:C12935 "KEGG COMPOUND" xref: Reaxys:3744916 "Reaxys Registry Number" xref: ChemIDplus:27214-00-2 "CAS Registry Number" xref: KEGG DRUG:D01488 "KEGG DRUG" is_a: CHEBI:35156 relationship: has_part CHEBI:58083 [Term] id: CHEBI:64301 name: calcium cyanamide def: "The calcium salt of cyanamide, formed when calcium carbide reacts with nitrogen" [] synonym: "calcium methanediylidenediazanide" EXACT IUPAC_NAME [IUPAC:] synonym: "Nitrogen lime" RELATED [ChemIDplus:] synonym: "Cyanamide, calcium salt (1:1)" RELATED [ChemIDplus:] synonym: "Lime nitrogen" RELATED [ChemIDplus:] synonym: "Lime-nitrogen" RELATED [ChemIDplus:] synonym: "methanediimine, calcium salt (1:1)" RELATED [ChEBI:] synonym: "calcium carbimide" RELATED INN [ChemIDplus:] synonym: "carbimide calcique" RELATED INN [ChemIDplus:] synonym: "carbimida calcica" RELATED INN [ChemIDplus:] synonym: "Cyanamide calcique" RELATED [ChemIDplus:] synonym: "CCaN2" RELATED FORMULA [ChEBI:] synonym: "[Ca++].[N-]=C=[N-]" RELATED SMILES [ChEBI:] synonym: "InChI=1S/CN2.Ca/c2-1-3;/q-2;+2" RELATED InChI [ChEBI:] synonym: "InChIKey=MYFXBBAEXORJNB-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: Wikipedia:Calcium cyanamide "Wikipedia" xref: Reaxys:3690962 "Reaxys Registry Number" xref: ChemIDplus:156-62-7 "CAS Registry Number" is_a: CHEBI:35156 relationship: has_part CHEBI:64302 relationship: has_role CHEBI:33287 [Term] id: CHEBI:71258 name: pitavastatin calcium def: "The calcium salt of pitavastatin. Used for treatment of hypercholesterolemia (elevated levels of cholesterol in the blood) on patients unable to sufficiently lower their cholesterol levels by diet and exercise." [] synonym: "calcium bis{(3R,5S,6E)-7-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-3,5-dihydroxyhept-6-enoate}" EXACT IUPAC_NAME [IUPAC:] synonym: "Bis((3R,5S,6E)-7-(2-cyclopropyl-4-(4-fluorophenyl)-3-quinolyl)-3,5-dihydroxy-6-heptenoate) monocalcium salt" RELATED [ChemIDplus:] synonym: "Pitavastatin hemicalcium" RELATED [ChemIDplus:] synonym: "C50H46CaF2N2O8" RELATED FORMULA [ChEBI:] synonym: "[Ca++].O[C@H](C[C@H](O)\\C=C\\c1c(nc2ccccc2c1-c1ccc(F)cc1)C1CC1)CC([O-])=O.O[C@H](C[C@H](O)\\C=C\\c1c(nc2ccccc2c1-c1ccc(F)cc1)C1CC1)CC([O-])=O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/2C25H24FNO4.Ca/c2*26-17-9-7-15(8-10-17)24-20-3-1-2-4-22(20)27-25(16-5-6-16)21(24)12-11-18(28)13-19(29)14-23(30)31;/h2*1-4,7-12,16,18-19,28-29H,5-6,13-14H2,(H,30,31);/q;;+2/p-2/b2*12-11+;/t2*18-,19-;/m11./s1" RELATED InChI [ChEBI:] synonym: "InChIKey=RHGYHLPFVJEAOC-FFNUKLMVSA-L" RELATED InChIKey [ChEBI:] xref: CiteXplore:21816477 "PubMed citation" xref: Patent:KR20110092804 "Patent" xref: Patent:US2012016129 "Patent" xref: Patent:WO2011105649 "Patent" xref: CiteXplore:21069103 "PubMed citation" xref: CiteXplore:20664824 "PubMed citation" xref: KEGG DRUG:147526-32-7 "CAS Registry Number" xref: Patent:WO2005063711 "Patent" xref: Patent:WO2012002741 "Patent" xref: Patent:WO2012025939 "Patent" xref: Patent:WO2007125547 "Patent" xref: Wikipedia:Pitavastatin "Wikipedia" xref: Patent:WO2007132482 "Patent" xref: Patent:US2012101126 "Patent" xref: Patent:US2009182008 "Patent" xref: CiteXplore:21651447 "PubMed citation" xref: CiteXplore:20852754 "PubMed citation" xref: KEGG DRUG:D01862 "KEGG DRUG" xref: Reaxys:7965530 "Reaxys Registry Number" xref: CiteXplore:21381428 "PubMed citation" xref: CiteXplore:21225019 "PubMed citation" xref: Patent:EP2383260 "Patent" xref: ChemIDplus:147526-32-7 "CAS Registry Number" xref: Patent:KR20110097058 "Patent" xref: Patent:US2011082298 "Patent" xref: Patent:US2011319624 "Patent" xref: CiteXplore:20621877 "PubMed citation" is_a: CHEBI:35156 relationship: has_role CHEBI:35664 relationship: has_role CHEBI:35821 relationship: has_role CHEBI:22586 relationship: has_part CHEBI:71260 [Term] id: CHEBI:18420 name: magnesium(2+) alt_id: CHEBI:6635 alt_id: CHEBI:13379 alt_id: CHEBI:49736 alt_id: CHEBI:25112 def: "A magnesium cation that has formula Mg." [] synonym: "magnesium, doubly charged positive ion" RELATED [NIST Chemistry WebBook:] synonym: "magnesium(2+)" EXACT IUPAC_NAME [IUPAC:] synonym: "magnesium(II) cation" EXACT IUPAC_NAME [IUPAC:] synonym: "Mg(2+)" RELATED [UniProt:] synonym: "magnesium, ion (Mg(2+))" RELATED [ChemIDplus:] synonym: "magnesium(2+) ion" EXACT IUPAC_NAME [IUPAC:] synonym: "Mg2+" RELATED [KEGG COMPOUND:] synonym: "magnesium cation" EXACT IUPAC_NAME [IUPAC:] synonym: "Mg(2+)" RELATED [IUPAC:] synonym: "MAGNESIUM ION" RELATED [PDBeChem:] synonym: "Mg" RELATED FORMULA [KEGG COMPOUND:] synonym: "[Mg++]" RELATED SMILES [ChEBI:] synonym: "InChI=1S/Mg/q+2" RELATED InChI [ChEBI:] synonym: "InChIKey=JLVVSXFLKOJNIY-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: ChemIDplus:22537-22-0 "CAS Registry Number" xref: NIST Chemistry WebBook:22537-22-0 "CAS Registry Number" xref: Gmelin:6857 "Gmelin Registry Number" xref: KEGG COMPOUND:C00305 "KEGG COMPOUND" xref: PDBeChem:MG "PDBeChem" is_a: CHEBI:39127 is_a: CHEBI:60240 is_a: CHEBI:30412 [Term] id: CHEBI:48828 name: cobalt(2+) alt_id: CHEBI:48827 alt_id: CHEBI:23337 def: "A cobalt cation that has formula Co." [] synonym: "Co(2+)" RELATED [UniProt:] synonym: "COBALT (II) ION" RELATED [PDBeChem:] synonym: "cobalt(II) cation" RELATED [ChEBI:] synonym: "Co2+" RELATED [ChEBI:] synonym: "cobalt(2+) ion" EXACT IUPAC_NAME [IUPAC:] synonym: "cobalt(2+) ion" RELATED [ChEBI:] synonym: "cobalt(II) cation" EXACT IUPAC_NAME [IUPAC:] synonym: "cobaltous ion" RELATED [ChEBI:] synonym: "cobalt(2+)" EXACT IUPAC_NAME [IUPAC:] synonym: "Co" RELATED FORMULA [ChEBI:] synonym: "[Co++]" RELATED SMILES [ChEBI:] synonym: "InChI=1S/Co/q+2" RELATED InChI [ChEBI:] synonym: "InChIKey=XLJKHNWPARRRJB-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: PDBeChem:CO "PDBeChem" xref: ChemIDplus:22541-53-3 "CAS Registry Number" xref: Gmelin:6853 "Gmelin Registry Number" is_a: CHEBI:60240 is_a: CHEBI:23336 is_a: CHEBI:30412 [Term] id: CHEBI:53470 name: cobalt(2+) sulfate def: "A compound of cobalt and sulfate in which the ratio of cobalt (+2 oxidation state) to sulfate is 1:1." [] synonym: "Cobalt monosulfate" RELATED [ChemIDplus:] synonym: "cobalt(2+) sulfate" EXACT IUPAC_NAME [IUPAC:] synonym: "Cobalt Brown" RELATED [ChemIDplus:] synonym: "Cobalt sulfate" RELATED [ChemIDplus:] synonym: "CoSO4" RELATED [ChemIDplus:] synonym: "Cobaltous sulfate" RELATED [ChemIDplus:] synonym: "Cobalt(II) sulfate" RELATED [ChemIDplus:] synonym: "Cobalt (2+) sulfate" RELATED [NIST Chemistry WebBook:] synonym: "CoO4S" RELATED FORMULA [ChEBI:] synonym: "[Co++].[O-]S([O-])(=O)=O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/Co.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+2;/p-2" RELATED InChI [ChEBI:] synonym: "InChIKey=KTVIXTQDYHMGHF-UHFFFAOYSA-L" RELATED InChIKey [ChEBI:] xref: Gmelin:270126 "Gmelin Registry Number" xref: CiteXplore:2415590 "PubMed citation" xref: Gmelin:8292 "Gmelin Registry Number" xref: ChemIDplus:10124-43-3 "CAS Registry Number" xref: Gmelin:268815 "Gmelin Registry Number" xref: Gmelin:270959 "Gmelin Registry Number" xref: NIST Chemistry WebBook:10124-43-3 "CAS Registry Number" is_a: CHEBI:51336 relationship: has_part CHEBI:48828 [Term] id: CHEBI:29036 name: copper(2+) alt_id: CHEBI:20882 alt_id: CHEBI:23380 alt_id: CHEBI:49550 def: "A copper cation that has formula Cu." [] synonym: "copper, ion (Cu2+)" RELATED [ChemIDplus:] synonym: "Cu(2+)" RELATED [UniProt:] synonym: "copper(2+)" EXACT IUPAC_NAME [IUPAC:] synonym: "Cu(II)" RELATED [ChEBI:] synonym: "copper(II) cation" EXACT IUPAC_NAME [IUPAC:] synonym: "copper(II) cation" RELATED [ChEBI:] synonym: "cupric ion" RELATED [ChEBI:] synonym: "Cu2+" RELATED [ChEBI:] synonym: "copper(2+) ion" EXACT IUPAC_NAME [IUPAC:] synonym: "COPPER (II) ION" RELATED [PDBeChem:] synonym: "Cu" RELATED FORMULA [ChEBI:] synonym: "[Cu++]" RELATED SMILES [ChEBI:] synonym: "InChI=1S/Cu/q+2" RELATED InChI [ChEBI:] synonym: "InChIKey=JPVYNHNXODAKFH-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: ChemIDplus:15158-11-9 "CAS Registry Number" xref: Gmelin:6855 "Gmelin Registry Number" xref: PDBeChem:CU "PDBeChem" is_a: CHEBI:60240 is_a: CHEBI:23378 is_a: CHEBI:30412 [Term] id: CHEBI:23414 name: copper(2+) sulfate def: "A metal sulfate compound having copper(2+) as the counterion." [] synonym: "copper(2+) sulfate" EXACT IUPAC_NAME [IUPAC:] synonym: "copper sulfate" RELATED [ChemIDplus:] synonym: "copper(II) sulfate" EXACT IUPAC_NAME [IUPAC:] synonym: "cupric sulfate anhydrous" RELATED [ChemIDplus:] synonym: "CuSO4" RELATED [IUPAC:] synonym: "Cupric sulfate" RELATED [ChemIDplus:] synonym: "CuO4S" RELATED FORMULA [ChEBI:] synonym: "[Cu++].[O-]S([O-])(=O)=O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/Cu.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+2;/p-2" RELATED InChI [ChEBI:] synonym: "InChIKey=ARUVKPQLZAKDPS-UHFFFAOYSA-L" RELATED InChIKey [ChEBI:] xref: ChemIDplus:7758-98-7 "CAS Registry Number" xref: Wikipedia:Cupric_Sulfate "Wikipedia" xref: Gmelin:8294 "Gmelin Registry Number" xref: CiteXplore:8566016 "PubMed citation" xref: CiteXplore:10469300 "PubMed citation" relationship: has_part CHEBI:29036 is_a: CHEBI:51336 [Term] id: CHEBI:31440 name: copper(2+) sulfate pentahydrate alt_id: CHEBI:370227 def: "The pentahydrate of copper(2+) sulfate." [] synonym: "CuSO4.5H2O" RELATED [IUPAC:] synonym: "copper(2+) sulfate--water (1/5)" EXACT IUPAC_NAME [IUPAC:] synonym: "cupric sulfate pentahydrate" RELATED [ChemIDplus:] synonym: "copper(II) sulfate, pentahydrate" RELATED [ChemIDplus:] synonym: "Cupric sulfate" RELATED [KEGG COMPOUND:] synonym: "copper(2+) sulfate (1:1) pentahydrate" RELATED [ChemIDplus:] synonym: "copper(2+) sulfate pentahydrate" EXACT IUPAC_NAME [IUPAC:] synonym: "CuSO4" RELATED [ChEMBL:] synonym: "O4S.Cu.5H2O" RELATED FORMULA [KEGG COMPOUND:] synonym: "CuO4S.5H2O" RELATED FORMULA [ChEBI:] synonym: "[Cu++].[H]O[H].[H]O[H].[H]O[H].[H]O[H].[H]O[H].[O-]S([O-])(=O)=O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/Cu.H2O4S.5H2O/c;1-5(2,3)4;;;;;/h;(H2,1,2,3,4);5*1H2/q+2;;;;;;/p-2" RELATED InChI [ChEBI:] synonym: "InChIKey=JZCCFEFSEZPSOG-UHFFFAOYSA-L" RELATED InChIKey [ChEBI:] xref: ChemIDplus:7758-99-8 "CAS Registry Number" xref: CiteXplore:7615984 "PubMed citation" xref: KEGG COMPOUND:C12279 "KEGG COMPOUND" xref: ChEMBL:3351847 "PubMed citation" relationship: has_part CHEBI:23414 is_a: CHEBI:35505 is_a: CHEBI:51336 relationship: has_part CHEBI:121741 [Term] id: CHEBI:121741 name: copper sulphate(5.H2O) is_a: CHEBI:51336 relationship: has_part CHEBI:29036 [Term] id: CHEBI:29033 name: iron(2+) alt_id: CHEBI:34754 alt_id: CHEBI:13319 alt_id: CHEBI:21129 alt_id: CHEBI:13321 alt_id: CHEBI:24876 alt_id: CHEBI:49599 def: "An iron cation that has formula Fe." [] synonym: "iron ion(2+)" RELATED [ChemIDplus:] synonym: "iron(2+) ion" EXACT IUPAC_NAME [IUPAC:] synonym: "iron(II) cation" EXACT IUPAC_NAME [IUPAC:] synonym: "Fe(2+)" RELATED [UniProt:] synonym: "iron(2+)" EXACT IUPAC_NAME [IUPAC:] synonym: "Fe2+" RELATED [KEGG COMPOUND:] synonym: "Fe(II)" RELATED [KEGG COMPOUND:] synonym: "Ferrous ion" RELATED [KEGG COMPOUND:] synonym: "Iron(2+)" EXACT [KEGG COMPOUND:] synonym: "FE (II) ION" RELATED [PDBeChem:] synonym: "Fe" RELATED FORMULA [KEGG COMPOUND:] synonym: "[Fe++]" RELATED SMILES [ChEBI:] synonym: "InChI=1S/Fe/q+2" RELATED InChI [ChEBI:] synonym: "InChIKey=CWYNVVGOOAEACU-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: ChemIDplus:15438-31-0 "CAS Registry Number" xref: Gmelin:6845 "Gmelin Registry Number" xref: KEGG COMPOUND:C14818 "KEGG COMPOUND" xref: PDBeChem:FE2 "PDBeChem" is_a: CHEBI:60240 is_a: CHEBI:24875 is_a: CHEBI:30412 [Term] id: CHEBI:29035 name: manganese(2+) alt_id: CHEBI:49749 alt_id: CHEBI:25156 alt_id: CHEBI:21435 def: "A manganese cation that has formula Mn." [] synonym: "manganese(2+)" EXACT IUPAC_NAME [IUPAC:] synonym: "manganese(II)" RELATED [ChemIDplus:] synonym: "Mn(2+)" RELATED [UniProt:] synonym: "manganese, ion (Mn2+)" RELATED [ChemIDplus:] synonym: "manganous ion" RELATED [ChemIDplus:] synonym: "MANGANESE (II) ION" RELATED [PDBeChem:] synonym: "manganese(2+) ion" EXACT IUPAC_NAME [IUPAC:] synonym: "manganese(II) cation" EXACT IUPAC_NAME [IUPAC:] synonym: "Mn" RELATED FORMULA [ChEBI:] synonym: "[Mn++]" RELATED SMILES [ChEBI:] synonym: "InChI=1S/Mn/q+2" RELATED InChI [ChEBI:] synonym: "InChIKey=WAEMQWOKJMHJLA-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: ChemIDplus:16397-91-4 "CAS Registry Number" xref: Gmelin:6858 "Gmelin Registry Number" xref: NIST Chemistry WebBook:16397-91-4 "CAS Registry Number" xref: PDBeChem:MN "PDBeChem" is_a: CHEBI:60240 is_a: CHEBI:30412 is_a: CHEBI:25155 [Term] id: CHEBI:16793 name: mercury(2+) alt_id: CHEBI:5714 alt_id: CHEBI:25200 alt_id: CHEBI:49640 alt_id: CHEBI:13370 alt_id: CHEBI:25199 def: "A mercury cation that has formula Hg." [] synonym: "Hg(2+)" RELATED [IUPAC:] synonym: "mercury(2+) ion" EXACT IUPAC_NAME [IUPAC:] synonym: "Hg(2+)" RELATED [UniProt:] synonym: "mercury(2+)" EXACT IUPAC_NAME [IUPAC:] synonym: "mercury(II) cation" EXACT IUPAC_NAME [IUPAC:] synonym: "Hg2+" RELATED [KEGG COMPOUND:] synonym: "mercury(II)" RELATED [ChEBI:] synonym: "MERCURY (II) ION" RELATED [PDBeChem:] synonym: "mercuric ion" RELATED [ChEBI:] synonym: "mercury(II) cation" RELATED [ChEBI:] synonym: "mercury(2+) ion" RELATED [ChEBI:] synonym: "Hg" RELATED FORMULA [KEGG COMPOUND:] synonym: "[Hg++]" RELATED SMILES [ChEBI:] synonym: "InChI=1S/Hg/q+2" RELATED InChI [ChEBI:] synonym: "InChIKey=BQPIGGFYSBELGY-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: KEGG COMPOUND:C00703 "KEGG COMPOUND" xref: ChEBI:c0096 "UM-BBD compID" xref: PDBeChem:HG "PDBeChem" is_a: CHEBI:60240 is_a: CHEBI:25197 is_a: CHEBI:30412 [Term] id: CHEBI:49786 name: nickel(2+) alt_id: CHEBI:49785 alt_id: CHEBI:25517 def: "An ion of nickel carrying a double positive charge." [] synonym: "Ni(2+)" RELATED [UniProt:] synonym: "NICKEL (II) ION" RELATED [PDBeChem:] synonym: "nickel(2+)" EXACT IUPAC_NAME [IUPAC:] synonym: "Nickel, ion (Ni2+)" RELATED [ChemIDplus:] synonym: "nickelous ion" RELATED [ChEBI:] synonym: "Ni2+" RELATED [KEGG COMPOUND:] synonym: "Ni(2+)" RELATED [IUPAC:] synonym: "nickel(2+) ion" EXACT IUPAC_NAME [IUPAC:] synonym: "nickel(II) cation" EXACT IUPAC_NAME [IUPAC:] synonym: "Ni" RELATED FORMULA [ChEBI:] synonym: "[Ni++]" RELATED SMILES [ChEBI:] synonym: "InChI=1S/Ni/q+2" RELATED InChI [ChEBI:] synonym: "InChIKey=VEQPNABPJHWNSG-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: CiteXplore:20456924 "PubMed citation" xref: PDBeChem:NI "PDBeChem" xref: Gmelin:6859 "Gmelin Registry Number" xref: ChemIDplus:14701-22-5 "CAS Registry Number" is_a: CHEBI:60240 is_a: CHEBI:25516 is_a: CHEBI:30412 [Term] id: CHEBI:53001 name: nickel sulfate def: "A metal sulfate compound having nickel(2+) as the counterion." [] synonym: "Nickel sulfate" EXACT [ChemIDplus:] synonym: "nickel(2+) sulfate" EXACT IUPAC_NAME [IUPAC:] synonym: "Nickel sulfate(1:1)" RELATED [ChemIDplus:] synonym: "Nickel sulphate" RELATED [ChemIDplus:] synonym: "NiSO4" RELATED [IUPAC:] synonym: "Nickel(II) sulfate (1:1)" RELATED [ChemIDplus:] synonym: "nickel(II) sulfate" RELATED [IUPAC:] synonym: "NiO4S" RELATED FORMULA [ChEBI:] synonym: "[Ni++].[O-]S([O-])(=O)=O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/Ni.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+2;/p-2" RELATED InChI [ChEBI:] synonym: "InChIKey=LGQLOGILCSXPEA-UHFFFAOYSA-L" RELATED InChIKey [ChEBI:] xref: CiteXplore:11207315 "PubMed citation" xref: CiteXplore:10444250 "PubMed citation" xref: CiteXplore:8991630 "PubMed citation" xref: CiteXplore:11851891 "PubMed citation" xref: CiteXplore:1694310 "PubMed citation" xref: CiteXplore:2415590 "PubMed citation" xref: CiteXplore:10444249 "PubMed citation" xref: Reaxys:11329960 "Reaxys Registry Number" xref: ChemIDplus:7786-81-4 "CAS Registry Number" xref: CiteXplore:2477914 "PubMed citation" xref: CiteXplore:8566016 "PubMed citation" xref: CiteXplore:2026136 "PubMed citation" xref: CiteXplore:21616561 "PubMed citation" xref: CiteXplore:10975816 "PubMed citation" xref: CiteXplore:18837732 "PubMed citation" xref: CiteXplore:7615984 "PubMed citation" xref: CiteXplore:14634084 "PubMed citation" xref: CiteXplore:7687268 "PubMed citation" xref: NIST Chemistry WebBook:7786-81-4 "CAS Registry Number" xref: Gmelin:8299 "Gmelin Registry Number" xref: CiteXplore:10469300 "PubMed citation" xref: CiteXplore:8891004 "PubMed citation" is_a: CHEBI:51336 relationship: has_part CHEBI:49786 relationship: has_role CHEBI:50904 [Term] id: CHEBI:53437 name: nickel sulfate hexahydrate def: "The hexahydrate of nickel sulfate." [] synonym: "nickel(2+) sulfate--water (1/6)" EXACT IUPAC_NAME [IUPAC:] synonym: "Nickel sulfate hexahydrate" EXACT [ChemIDplus:] synonym: "Nickel sulphate hexahydrate" RELATED [ChemIDplus:] synonym: "Nickel(2+) sulfate hexahydrate" RELATED [ChemIDplus:] synonym: "Nickelous sulfate hexahydrate" RELATED [ChemIDplus:] synonym: "Nickel(II) sulfate hexahydrate" RELATED [ChemIDplus:] synonym: "Nickel monosulfate hexahydrate" RELATED [ChemIDplus:] synonym: "NiO4S.6H2O" RELATED FORMULA [ChEBI:] synonym: "H12NiO10S" RELATED FORMULA [ChEBI:] synonym: "[Ni++].[H]O[H].[H]O[H].[H]O[H].[H]O[H].[H]O[H].[H]O[H].[O-]S([O-])(=O)=O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/Ni.H2O4S.6H2O/c;1-5(2,3)4;;;;;;/h;(H2,1,2,3,4);6*1H2/q+2;;;;;;;/p-2" RELATED InChI [ChEBI:] synonym: "InChIKey=RRIWRJBSCGCBID-UHFFFAOYSA-L" RELATED InChIKey [ChEBI:] xref: CiteXplore:8991630 "PubMed citation" xref: Gmelin:22317 "Gmelin Registry Number" xref: CiteXplore:12756270 "PubMed citation" xref: CiteXplore:7615984 "PubMed citation" xref: ChemIDplus:10101-97-0 "CAS Registry Number" xref: CiteXplore:14734778 "PubMed citation" is_a: CHEBI:35505 relationship: has_part CHEBI:53001 [Term] id: CHEBI:53504 name: nickel sulfate heptahydrate def: "A hydrate of nickel sulfate containing nickel (in +2 oxidation state), sulfate and water moieties in the ratio 1:1:7." [] synonym: "Nickel(2+) sulfate heptahydrate" RELATED [ChemIDplus:] synonym: "Nickelous sulfate heptahydrate" RELATED [ChemIDplus:] synonym: "Nickel(II) sulfate heptahydrate" RELATED [ChemIDplus:] synonym: "nickel(2+) sulfate heptahydrate" EXACT IUPAC_NAME [IUPAC:] synonym: "nickel sulfate--water (1/7)" EXACT IUPAC_NAME [IUPAC:] synonym: "H14NiO11S" RELATED FORMULA [ChEBI:] synonym: "O.O.O.O.O.O.O.[Ni++].[O-]S([O-])(=O)=O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/Ni.H2O4S.7H2O/c;1-5(2,3)4;;;;;;;/h;(H2,1,2,3,4);7*1H2/q+2;;;;;;;;/p-2" RELATED InChI [ChEBI:] synonym: "InChIKey=OGKAGKFVPCOHQW-UHFFFAOYSA-L" RELATED InChIKey [ChEBI:] xref: ChemIDplus:10101-98-1 "CAS Registry Number" xref: CiteXplore:11207315 "PubMed citation" xref: Gmelin:10712 "Gmelin Registry Number" is_a: CHEBI:35505 relationship: has_part CHEBI:53001 [Term] id: CHEBI:29105 name: zinc(2+) alt_id: CHEBI:49972 alt_id: CHEBI:10113 alt_id: CHEBI:49982 alt_id: CHEBI:27368 def: "A zinc cation that has formula Zn." [] synonym: "Zn(2+)" RELATED [UniProt:] synonym: "zinc(2+)" EXACT IUPAC_NAME [IUPAC:] synonym: "zinc(II) cation" EXACT IUPAC_NAME [IUPAC:] synonym: "zinc, ion (Zn2+)" RELATED [ChemIDplus:] synonym: "ZINC ION" RELATED [PDBeChem:] synonym: "Zn2+" RELATED [KEGG COMPOUND:] synonym: "Zn(2+)" RELATED [IUPAC:] synonym: "zinc(2+) ion" EXACT IUPAC_NAME [IUPAC:] synonym: "zinc cation" RELATED [IUPAC:] synonym: "Zn(II)" RELATED [KEGG COMPOUND:] synonym: "Zn" RELATED FORMULA [KEGG COMPOUND:] synonym: "[Zn++]" RELATED SMILES [ChEBI:] synonym: "InChI=1S/Zn/q+2" RELATED InChI [ChEBI:] synonym: "InChIKey=PTFCDOFLOPIGGS-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: ChemIDplus:23713-49-7 "CAS Registry Number" xref: Gmelin:6869 "Gmelin Registry Number" xref: PDBeChem:ZN "PDBeChem" xref: KEGG COMPOUND:C00038 "KEGG COMPOUND" is_a: CHEBI:60240 is_a: CHEBI:63056 is_a: CHEBI:30412 [Term] id: CHEBI:25213 name: metal cation synonym: "metal cation" EXACT [UniProt:] synonym: "metal cations" RELATED [ChEBI:] is_a: CHEBI:23906 is_a: CHEBI:36915 [Term] id: CHEBI:33504 name: alkali metal cation synonym: "alkali metal cations" RELATED [ChEBI:] is_a: CHEBI:25213 [Term] id: CHEBI:49713 name: lithium(1+) alt_id: CHEBI:49711 alt_id: CHEBI:30143 def: "An alkali metal cation that has formula Li." [] synonym: "Li(+)" RELATED [UniProt:] synonym: "LITHIUM ION" RELATED [PDBeChem:] synonym: "Li(+)" RELATED [IUPAC:] synonym: "Lithium, ion (Li1+)" RELATED [ChemIDplus:] synonym: "lithium(I) cation" EXACT IUPAC_NAME [IUPAC:] synonym: "lithium cation" RELATED [NIST Chemistry WebBook:] synonym: "lithium(1+) ion" EXACT IUPAC_NAME [IUPAC:] synonym: "lithium, ion" RELATED [NIST Chemistry WebBook:] synonym: "lithium(1+)" EXACT IUPAC_NAME [IUPAC:] synonym: "Li" RELATED FORMULA [ChEBI:] synonym: "[Li+]" RELATED SMILES [ChEBI:] synonym: "InChI=1S/Li/q+1" RELATED InChI [ChEBI:] synonym: "InChIKey=HBBGRARXTFLTSG-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: DrugBank:DB01356 "DrugBank" xref: ChemIDplus:17341-24-1 "CAS Registry Number" xref: Gmelin:15205 "Gmelin Registry Number" xref: NIST Chemistry WebBook:17341-24-1 "CAS Registry Number" xref: PDBeChem:LI "PDBeChem" is_a: CHEBI:60242 is_a: CHEBI:25414 is_a: CHEBI:33504 [Term] id: CHEBI:53474 name: lithium sulfate def: "A metal sulfate in which the counterion is lithium and the ratio of lithium to sulfate is 2:1." [] synonym: "dilithium sulfate" EXACT IUPAC_NAME [IUPAC:] synonym: "Lithium sulfate" EXACT [KEGG DRUG:] synonym: "Lithium sulphate" RELATED [ChemIDplus:] synonym: "Lithiophor" RELATED [NIST Chemistry WebBook:] synonym: "Dilthium sulfate" RELATED [NIST Chemistry WebBook:] synonym: "Li2SO4" RELATED [NIST Chemistry WebBook:] synonym: "Li2O4S" RELATED FORMULA [ChEBI:] synonym: "[Li+].[Li+].[O-]S([O-])(=O)=O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/2Li.H2O4S/c;;1-5(2,3)4/h;;(H2,1,2,3,4)/q2*+1;/p-2" RELATED InChI [ChEBI:] synonym: "InChIKey=INHCSSUBVCNVSK-UHFFFAOYSA-L" RELATED InChIKey [ChEBI:] xref: CiteXplore:2469014 "PubMed citation" xref: Gmelin:6364 "Gmelin Registry Number" xref: CiteXplore:8991630 "PubMed citation" xref: KEGG DRUG:10377-48-7 "CAS Registry Number" xref: KEGG DRUG:D08137 "KEGG DRUG" xref: Reaxys:11242643 "Reaxys Registry Number" xref: ChemIDplus:10377-48-7 "CAS Registry Number" xref: NIST Chemistry WebBook:10377-48-7 "CAS Registry Number" is_a: CHEBI:51336 relationship: has_part CHEBI:49713 relationship: has_role CHEBI:35469 [Term] id: CHEBI:29101 name: sodium(1+) alt_id: CHEBI:9175 alt_id: CHEBI:26717 alt_id: CHEBI:49766 def: "A monoatomic monocation obtained from sodium." [] synonym: "sodium(1+)" EXACT IUPAC_NAME [IUPAC:] synonym: "sodium cation" EXACT IUPAC_NAME [IUPAC:] synonym: "Na(+)" RELATED [UniProt:] synonym: "Na+" RELATED [KEGG COMPOUND:] synonym: "sodium(1+) ion" EXACT IUPAC_NAME [IUPAC:] synonym: "sodium(I) cation" EXACT IUPAC_NAME [IUPAC:] synonym: "Na(+)" RELATED [IUPAC:] synonym: "SODIUM ION" RELATED [PDBeChem:] synonym: "Na" RELATED FORMULA [KEGG COMPOUND:] synonym: "[Na+]" RELATED SMILES [ChEBI:] synonym: "InChI=1S/Na/q+1" RELATED InChI [ChEBI:] synonym: "InChIKey=FKNQFGJONOIPTF-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: NIST Chemistry WebBook:17341-25-2 "CAS Registry Number" xref: Gmelin:15196 "Gmelin Registry Number" xref: ChemIDplus:17341-25-2 "CAS Registry Number" xref: KEGG COMPOUND:C01330 "KEGG COMPOUND" xref: PDBeChem:NA "PDBeChem" is_a: CHEBI:33504 is_a: CHEBI:37246 is_a: CHEBI:60242 is_a: CHEBI:25414 [Term] id: CHEBI:26714 name: sodium salt def: "Any alkali metal salt having sodium(1+) as the cation." [] synonym: "Natriumsalze" RELATED [ChEBI:] synonym: "Natriumsalz" RELATED [ChEBI:] synonym: "sodium salts" RELATED [ChEBI:] is_a: CHEBI:26712 is_a: CHEBI:35479 relationship: has_part CHEBI:29101 [Term] id: CHEBI:37586 name: sodium phosphate synonym: "sodium phosphate" EXACT [ChemIDplus:] synonym: "phosphoric acid, sodium salt" RELATED [ChemIDplus:] synonym: "sodium orthophosphate" RELATED [ChemIDplus:] synonym: "sodium phosphates" RELATED [ChEBI:] synonym: "sodium salt of phosphoric acid" RELATED [ChemIDplus:] xref: ChemIDplus:7632-05-5 "CAS Registry Number" is_a: CHEBI:24838 is_a: CHEBI:26714 [Term] id: CHEBI:37585 name: sodium dihydrogenphosphate def: "A sodium phosphate that has formula H2NaO4P." [] synonym: "monosodium phosphate" RELATED [ChemIDplus:] synonym: "sodium dihydrogenphosphate" EXACT IUPAC_NAME [IUPAC:] synonym: "phosphoric acid, monosodium salt" RELATED [ChemIDplus:] synonym: "NaH2PO4" RELATED [IUPAC:] synonym: "sodium phosphate, monobasic" RELATED [ChemIDplus:] synonym: "sodium dihydrogen phosphate" RELATED [NIST Chemistry WebBook:] synonym: "sodium phosphate monobasic anhydrous" RELATED [ChemIDplus:] synonym: "H2NaO4P" RELATED FORMULA [ChEBI:] synonym: "[Na+].OP(O)([O-])=O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/Na.H3O4P/c;1-5(2,3)4/h;(H3,1,2,3,4)/q+1;/p-1" RELATED InChI [ChEBI:] synonym: "InChIKey=AJPJDKMHJJGVTQ-UHFFFAOYSA-M" RELATED InChIKey [ChEBI:] xref: NIST Chemistry WebBook:7558-80-7 "CAS Registry Number" xref: Gmelin:12533 "Gmelin Registry Number" xref: ChemIDplus:7558-80-7 "CAS Registry Number" is_a: CHEBI:37586 [Term] id: CHEBI:34683 name: disodium hydrogenphosphate def: "A sodium phosphate that has formula HNa2O4P." [] synonym: "disodium monohydrogen phosphate" RELATED [ChemIDplus:] synonym: "Disodium phosphate" RELATED [KEGG COMPOUND:] synonym: "disodium hydrogen phosphate" RELATED [NIST Chemistry WebBook:] synonym: "disodium hydrogenphosphate" EXACT IUPAC_NAME [IUPAC:] synonym: "Na2HPO4" RELATED [ChEBI:] synonym: "disodium acid orthophosphate" RELATED [ChemIDplus:] synonym: "Dibasic sodium phosphate" RELATED [KEGG COMPOUND:] synonym: "HNa2O4P" RELATED FORMULA [ChEBI:] synonym: "HO4P.2Na" RELATED FORMULA [KEGG COMPOUND:] synonym: "[Na+].[Na+].OP([O-])([O-])=O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/2Na.H3O4P/c;;1-5(2,3)4/h;;(H3,1,2,3,4)/q2*+1;/p-2" RELATED InChI [ChEBI:] synonym: "InChIKey=BNIILDVGGAEEIG-UHFFFAOYSA-L" RELATED InChIKey [ChEBI:] xref: Gmelin:33547 "Gmelin Registry Number" xref: KEGG COMPOUND:C13558 "KEGG COMPOUND" xref: KEGG COMPOUND:7558-79-4 "CAS Registry Number" xref: ChemIDplus:7558-79-4 "CAS Registry Number" xref: NIST Chemistry WebBook:7558-79-4 "CAS Registry Number" is_a: CHEBI:37586 [Term] id: CHEBI:37583 name: trisodium phosphate def: "A sodium phosphate that has formula Na3O4P." [] synonym: "tribasic sodium orthophosphate" RELATED [ChemIDplus:] synonym: "sodium phosphate, tribasic" RELATED [ChemIDplus:] synonym: "sodium orthophosphate" RELATED [ChemIDplus:] synonym: "trisodium phosphate" EXACT IUPAC_NAME [IUPAC:] synonym: "sodium phosphate" RELATED [NIST Chemistry WebBook:] synonym: "tertiary sodium phosphate" RELATED [ChemIDplus:] synonym: "tertiaeres Natriumphosphat(V)" RELATED [ChEBI:] synonym: "tribasic sodium phosphate" RELATED [ChemIDplus:] synonym: "Na3PO4" RELATED [IUPAC:] synonym: "Trinatriumphosphat" RELATED [ChemIDplus:] synonym: "phosphoric acid trisodium salt" RELATED [ChemIDplus:] synonym: "Na3O4P" RELATED FORMULA [ChEBI:] synonym: "[Na+].[Na+].[Na+].[O-]P([O-])([O-])=O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/3Na.H3O4P/c;;;1-5(2,3)4/h;;;(H3,1,2,3,4)/q3*+1;/p-3" RELATED InChI [ChEBI:] synonym: "InChIKey=RYFMWSXOAZQYPI-UHFFFAOYSA-K" RELATED InChIKey [ChEBI:] xref: ChemIDplus:7601-54-9 "CAS Registry Number" xref: NIST Chemistry WebBook:7601-54-9 "CAS Registry Number" xref: Gmelin:13228 "Gmelin Registry Number" is_a: CHEBI:37586 [Term] id: CHEBI:38700 name: organic sodium salt synonym: "organic sodium salts" RELATED [ChEBI:] synonym: "organic sodium salt" EXACT [ChEBI:] is_a: CHEBI:26714 is_a: CHEBI:24868 [Term] id: CHEBI:29377 name: sodium carbonate def: "A carbonate salt that has formula CNa2O3." [] synonym: "sodium carbonate" EXACT IUPAC_NAME [IUPAC:] synonym: "Na2CO3" RELATED [IUPAC:] synonym: "Natriumkarbonat" RELATED [ChEBI:] synonym: "disodium carbonate" RELATED [NIST Chemistry WebBook:] synonym: "disodium trioxidocarbonate" EXACT IUPAC_NAME [IUPAC:] synonym: "CNa2O3" RELATED FORMULA [ChEBI:] synonym: "[Na+].[Na+].[O-]C([O-])=O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/CH2O3.2Na/c2-1(3)4;;/h(H2,2,3,4);;/q;2*+1/p-2" RELATED InChI [ChEBI:] synonym: "InChIKey=CDBYLPFSWZWCQE-UHFFFAOYSA-L" RELATED InChIKey [ChEBI:] xref: NIST Chemistry WebBook:497-19-8 "CAS Registry Number" xref: ChemIDplus:497-19-8 "CAS Registry Number" is_a: CHEBI:38700 is_a: CHEBI:46721 [Term] id: CHEBI:35863 name: monosodium aurothiomalate def: "An organic monosodium salt of gold thiomalic acid, comprising a sodium cation and a monovalent aurothiomalate anion." [] synonym: "sodium [2-(sulfanyl-kappaS)butanedioato(2-)]aurate(1-)" EXACT IUPAC_NAME [IUPAC:] synonym: "C4H4AuNaO4S" RELATED FORMULA [ChEBI:] synonym: "[Na+].OC(=O)CC(S[Au])C([O-])=O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C4H6O4S.Au.Na/c5-3(6)1-2(9)4(7)8;;/h2,9H,1H2,(H,5,6)(H,7,8);;/q;2*+1/p-2" RELATED InChI [ChEBI:] synonym: "InChIKey=LTEMOXGFFHXNNS-UHFFFAOYSA-L" RELATED InChIKey [ChEBI:] xref: Gmelin:1211734 "Gmelin Registry Number" is_a: CHEBI:33971 is_a: CHEBI:38700 [Term] id: CHEBI:5516 name: sodium aurothiomalate def: "A variable mixture of the mono- and di-sodium salts of aurothiomalic acid." [] synonym: "Myochrysine (TN)" RELATED [KEGG DRUG:] synonym: "Gold sodium thiomalate" RELATED [KEGG DRUG:] synonym: "Sodium aurothiomalate" EXACT [KEGG DRUG:] xref: ChemIDplus:12244-57-4 "CAS Registry Number" xref: CiteXplore:445303 "PubMed citation" xref: KEGG DRUG:12244-57-4 "CAS Registry Number" xref: KEGG DRUG:D00992 "KEGG DRUG" relationship: has_role CHEBI:35842 is_a: CHEBI:33971 relationship: has_part CHEBI:35863 relationship: has_part CHEBI:35864 is_a: CHEBI:38700 [Term] id: CHEBI:38699 name: sodium fluoroacetate def: "An organic sodium salt that has formula C2H2FNaO2." [] synonym: "sodium monofluoroacetate" RELATED [ChemIDplus:] synonym: "fluoroacetic acid sodium salt" RELATED [ChemIDplus:] synonym: "sodium fluoroacetate" EXACT IUPAC_NAME [IUPAC:] synonym: "Natriumfluoracetat" RELATED [ChemIDplus:] synonym: "C2H2FNaO2" RELATED FORMULA [ChEBI:] synonym: "[Na+].[O-]C(=O)CF" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C2H3FO2.Na/c3-1-2(4)5;/h1H2,(H,4,5);/q;+1/p-1" RELATED InChI [ChEBI:] synonym: "InChIKey=JGFYQVQAXANWJU-UHFFFAOYSA-M" RELATED InChIKey [ChEBI:] xref: Gmelin:470376 "Gmelin Registry Number" xref: Beilstein:3915223 "Beilstein Registry Number" xref: ChemIDplus:62-74-8 "CAS Registry Number" is_a: CHEBI:38700 relationship: has_part CHEBI:18172 relationship: has_role CHEBI:33288 [Term] id: CHEBI:35864 name: disodium aurothiomalate def: "An organic sodium salt which is the disodium salt of gold thiomalic acid, with a basic unit comprising two sodium cations and a divalent aurothiomalate anion." [] synonym: "disodium [2-(sulfanyl-kappaS)butanedioato(3-)]aurate(2-)" EXACT IUPAC_NAME [IUPAC:] synonym: "Na2[Au(thiomalate)]" RELATED [ChEBI:] synonym: "disodium thiomalato-S-gold(I)" RELATED [ChEBI:] synonym: "gold sodium thiomalate" RELATED [ChEBI:] synonym: "sodium aurothiomalate" RELATED [ChEBI:] synonym: "disodium thiomalato-S-aurate(I)" RELATED [ChEBI:] synonym: "sodium aurum(I) thiomalate" RELATED [ChEBI:] synonym: "[(1,2-dicarboxyethyl)thio]gold disodium salt" RELATED [ChEBI:] synonym: "C4H3AuNa2O4S" RELATED FORMULA [ChEBI:] synonym: "[Na+].[Na+].[O-]C(=O)CC(S[Au])C([O-])=O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C4H6O4S.Au.2Na/c5-3(6)1-2(9)4(7)8;;;/h2,9H,1H2,(H,5,6)(H,7,8);;;/q;3*+1/p-3" RELATED InChI [ChEBI:] synonym: "InChIKey=VXIHRIQNJCRFQX-UHFFFAOYSA-K" RELATED InChIKey [ChEBI:] xref: Gmelin:1268392 "Gmelin Registry Number" xref: Gmelin:1308855 "Gmelin Registry Number" xref: Reaxys:14647662 "Reaxys Registry Number" is_a: CHEBI:38700 relationship: has_part CHEBI:68613 [Term] id: CHEBI:22868 name: bile salt def: "A sodium salt of the conjugate of any bile acid with either glycine or taurine." [] synonym: "bile salts" RELATED [ChEBI:] is_a: CHEBI:36078 is_a: CHEBI:38700 [Term] id: CHEBI:36273 name: sodium glycocholate def: "A bile salt that has formula C26H42NNaO6." [] synonym: "glycocholic acid sodium salt" RELATED [ChemIDplus:] synonym: "sodium glycocholate" EXACT [ChemIDplus:] synonym: "glycocholate sodium" RELATED [ChemIDplus:] synonym: "monosodium glycocholic acid" RELATED [ChemIDplus:] synonym: "N-choloylglycine, monosodium salt" RELATED [ChemIDplus:] synonym: "sodium N-(3alpha,7alpha,12alpha-trihydroxy-5beta-cholan-24-oyl)glycinate" EXACT IUPAC_NAME [IUPAC:] synonym: "glycocholate sodium salt" RELATED [ChemIDplus:] synonym: "C26H42NNaO6" RELATED FORMULA [ChEBI:] synonym: "[Na+].[H][C@@]12C[C@H](O)CC[C@]1(C)[C@@]1([H])C[C@H](O)[C@]3(C)[C@]([H])(CC[C@@]3([H])[C@]1([H])[C@H](O)C2)[C@H](C)CCC(=O)NCC([O-])=O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C26H43NO6.Na/c1-14(4-7-22(31)27-13-23(32)33)17-5-6-18-24-19(12-21(30)26(17,18)3)25(2)9-8-16(28)10-15(25)11-20(24)29;/h14-21,24,28-30H,4-13H2,1-3H3,(H,27,31)(H,32,33);/q;+1/p-1/t14-,15+,16-,17-,18+,19+,20-,21+,24+,25+,26-;/m1./s1" RELATED InChI [ChEBI:] synonym: "InChIKey=OABYVIYXWMZFFJ-ZUHYDKSRSA-M" RELATED InChIKey [ChEBI:] xref: ChemIDplus:863-57-0 "CAS Registry Number" xref: Beilstein:3854517 "Beilstein Registry Number" is_a: CHEBI:22868 relationship: has_part CHEBI:29746 [Term] id: CHEBI:36276 name: sodium taurocholate def: "A bile salt that has formula C26H44NNaO7S." [] synonym: "taurocholate sodium" RELATED [ChemIDplus:] synonym: "taurocholic acid sodium salt" RELATED [ChemIDplus:] synonym: "taurocholate sodium salt" RELATED [ChemIDplus:] synonym: "sodium 2-[(3alpha,7alpha,12alpha-trihydroxy-24-oxo-5beta-cholan-24-yl)amino]ethanesulfonate" EXACT IUPAC_NAME [IUPAC:] synonym: "sodium taurocholate" EXACT [ChemIDplus:] synonym: "monosodium N-choloyltaurinate" RELATED [ChemIDplus:] synonym: "C26H44NNaO7S" RELATED FORMULA [ChEBI:] synonym: "[Na+].[H][C@@]12C[C@H](O)CC[C@]1(C)[C@@]1([H])C[C@H](O)[C@]3(C)[C@]([H])(CC[C@@]3([H])[C@]1([H])[C@H](O)C2)[C@H](C)CCC(=O)NCCS([O-])(=O)=O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C26H45NO7S.Na/c1-15(4-7-23(31)27-10-11-35(32,33)34)18-5-6-19-24-20(14-22(30)26(18,19)3)25(2)9-8-17(28)12-16(25)13-21(24)29;/h15-22,24,28-30H,4-14H2,1-3H3,(H,27,31)(H,32,33,34);/q;+1/p-1/t15-,16+,17-,18-,19+,20+,21-,22+,24+,25+,26-;/m1./s1" RELATED InChI [ChEBI:] synonym: "InChIKey=JAJWGJBVLPIOOH-IZYKLYLVSA-M" RELATED InChIKey [ChEBI:] xref: ChemIDplus:145-42-6 "CAS Registry Number" xref: Beilstein:3901620 "Beilstein Registry Number" is_a: CHEBI:22868 relationship: has_part CHEBI:36257 [Term] id: CHEBI:30058 name: sodium dicyanoaurate(1-) def: "An organic sodium salt that has formula C2AuN2Na." [] synonym: "sodium dicyanidoaurate(1-)" EXACT IUPAC_NAME [IUPAC:] synonym: "sodium dicyanoaurate" RELATED [ChemIDplus:] synonym: "sodium dicyanidoaurate(I)" EXACT IUPAC_NAME [IUPAC:] synonym: "Na[Au(CN)2]" RELATED [IUPAC:] synonym: "sodium gold(I) cyanide" RELATED [ChemIDplus:] synonym: "sodium bis(cyano-kappaC)aurate(1-)" RELATED [ChemIDplus:] synonym: "sodium dicyanoaurate(I)" RELATED [ChemIDplus:] synonym: "C2AuN2Na" RELATED FORMULA [ChEBI:] synonym: "[Na+].N#C[Au-]C#N" RELATED SMILES [ChEBI:] synonym: "InChI=1S/2CN.Au.Na/c2*1-2;;/q;;-1;+1" RELATED InChI [ChEBI:] synonym: "InChIKey=LGYSFIGTWNEYKS-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: Gmelin:1431729 "Gmelin Registry Number" xref: ChemIDplus:15280-09-8 "CAS Registry Number" relationship: has_part CHEBI:49491 is_a: CHEBI:38700 [Term] id: CHEBI:26711 name: sodium cholate def: "A cholate salt that has formula C24H39NaO5." [] synonym: "sodium cholate" EXACT [ChemIDplus:] synonym: "sodium 3alpha,7alpha,12alpha-trihydroxy-5beta-cholan-24-oate" EXACT IUPAC_NAME [IUPAC:] synonym: "cholic acid, monosodium salt" RELATED [ChemIDplus:] synonym: "C24H39NaO5" RELATED FORMULA [ChEBI:] synonym: "[Na+].[H][C@@]12C[C@H](O)CC[C@]1(C)[C@@]1([H])C[C@H](O)[C@]3(C)[C@]([H])(CC[C@@]3([H])[C@]1([H])[C@H](O)C2)[C@H](C)CCC([O-])=O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C24H40O5.Na/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26;/h13-20,22,25-27H,4-12H2,1-3H3,(H,28,29);/q;+1/p-1/t13-,14+,15-,16-,17+,18+,19-,20+,22+,23+,24-;/m1./s1" RELATED InChI [ChEBI:] synonym: "InChIKey=NRHMKIHPTBHXPF-TUJRSCDTSA-M" RELATED InChIKey [ChEBI:] xref: Beilstein:4289807 "Beilstein Registry Number" xref: ChemIDplus:361-09-1 "CAS Registry Number" is_a: CHEBI:23169 is_a: CHEBI:38700 [Term] id: CHEBI:34659 name: sodium cyanotriphenylborate def: "A tetraorganoborate salt that has formula C19H15BN.Na." [] synonym: "Cyanotriphenylborate" RELATED [KEGG COMPOUND:] synonym: "sodium (cyano-kappaC)(triphenyl)borate(1-)" RELATED [ChEBI:] synonym: "sodium (cyanido-kappaC)(triphenyl)borate(1-)" EXACT IUPAC_NAME [IUPAC:] synonym: "sodium (cyano-C)triphenylborate(1-)" RELATED [ChemIDplus:] synonym: "sodium cyanotriphenylborate(1-)" RELATED [ChemIDplus:] synonym: "sodium cyanotriphenylboranuide" EXACT IUPAC_NAME [IUPAC:] synonym: "Cesignost" RELATED [ChemIDplus:] synonym: "C19H15BN.Na" RELATED FORMULA [KEGG COMPOUND:] synonym: "[Na+].N#C[B-](c1ccccc1)(c1ccccc1)c1ccccc1" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C19H15BN.Na/c21-16-20(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19;/h1-15H;/q-1;+1" RELATED InChI [ChEBI:] synonym: "InChIKey=QNLQNWKYDWFECJ-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: KEGG COMPOUND:14568-16-2 "CAS Registry Number" xref: ChemIDplus:14568-16-2 "CAS Registry Number" xref: KEGG COMPOUND:C13721 "KEGG COMPOUND" xref: Gmelin:245189 "Gmelin Registry Number" xref: Beilstein:3794683 "Beilstein Registry Number" is_a: CHEBI:38700 relationship: has_part CHEBI:38895 is_a: CHEBI:50935 [Term] id: CHEBI:32954 name: sodium acetate def: "An organic sodium salt that has formula C2H3NaO2." [] synonym: "sodium acetate" EXACT IUPAC_NAME [IUPAC:] synonym: "Natriumazetat" RELATED [ChEBI:] synonym: "sodium acetate anhydrous" RELATED [ChemIDplus:] synonym: "anhydrous sodium acetate" RELATED [ChemIDplus:] synonym: "acetic acid, sodium salt" RELATED [ChemIDplus:] synonym: "C2H3NaO2" RELATED FORMULA [ChEBI:] synonym: "[Na+].CC([O-])=O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C2H4O2.Na/c1-2(3)4;/h1H3,(H,3,4);/q;+1/p-1" RELATED InChI [ChEBI:] synonym: "InChIKey=VMHLLURERBWHNL-UHFFFAOYSA-M" RELATED InChIKey [ChEBI:] xref: Beilstein:3595639 "Beilstein Registry Number" xref: Wikipedia:Sodium_Acetate "Wikipedia" xref: Gmelin:20502 "Gmelin Registry Number" xref: ChemIDplus:127-09-3 "CAS Registry Number" is_a: CHEBI:38700 relationship: has_part CHEBI:30089 [Term] id: CHEBI:32138 name: sodium acetate trihydrate def: "A hydrate that has formula C2H3O2.Na.3H2O." [] synonym: "sodium acetate--water (1/3)" EXACT IUPAC_NAME [IUPAC:] synonym: "Sodium acetate trihydrate" EXACT [KEGG COMPOUND:] synonym: "C2H3O2.Na.3H2O" RELATED FORMULA [KEGG COMPOUND:] synonym: "C2H9NaO5" RELATED FORMULA [ChEBI:] synonym: "[Na+].[H]O[H].[H]O[H].[H]O[H].CC([O-])=O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C2H4O2.Na.3H2O/c1-2(3)4;;;;/h1H3,(H,3,4);;3*1H2/q;+1;;;/p-1" RELATED InChI [ChEBI:] synonym: "InChIKey=AYRVGWHSXIMRAB-UHFFFAOYSA-M" RELATED InChIKey [ChEBI:] xref: KEGG COMPOUND:6131-90-4 "CAS Registry Number" xref: ChemIDplus:6131-90-4 "CAS Registry Number" xref: KEGG COMPOUND:C13247 "KEGG COMPOUND" is_a: CHEBI:35505 relationship: has_part CHEBI:32954 [Term] id: CHEBI:39470 name: disodium alpha-D,alpha-D-digalacturonate def: "An organic sodium salt that has formula C12H16Na2O13." [] synonym: "disodium (alpha-D-galactopyranosyluronate)-(1->4)-alpha-D-galactopyranuronate" EXACT IUPAC_NAME [IUPAC:] synonym: "C12H16Na2O13" RELATED FORMULA [ChEBI:] synonym: "[Na+].[Na+].O[C@H]1O[C@@H]([C@H](O[C@H]2O[C@@H]([C@H](O)[C@H](O)[C@H]2O)C([O-])=O)[C@H](O)[C@H]1O)C([O-])=O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C12H18O13.2Na/c13-1-2(14)7(9(18)19)25-12(5(1)17)24-6-3(15)4(16)11(22)23-8(6)10(20)21;;/h1-8,11-17,22H,(H,18,19)(H,20,21);;/q;2*+1/p-2/t1-,2+,3+,4+,5+,6+,7-,8-,11-,12-;;/m0../s1" RELATED InChI [ChEBI:] synonym: "InChIKey=NTIXLLFKQPXXAX-QMLOBEDSSA-L" RELATED InChIKey [ChEBI:] xref: Beilstein:39470 "Beilstein Registry Number" is_a: CHEBI:38700 relationship: has_part CHEBI:39473 [Term] id: CHEBI:46692 name: eritoran tetrasodium def: "An organic sodium salt which is the tetrasodium salt of eritoran." [] synonym: "E5564" RELATED [KEGG DRUG:] synonym: "tetrasodium 3-O-decyl-2-deoxy-6-O-{2-deoxy-3-O-[(3R)-3-methoxydecyl]-6-O-methyl-2-[(11Z)-octadec-11-enoylamino]-4-O-phosphonato-beta-D-glucopyranosyl}-2-[(3-oxotetradecanoyl)amino]-1-O-phosphonato-alpha-D-glucopyranose" EXACT IUPAC_NAME [IUPAC:] synonym: "C66H122N2Na4O19P2" RELATED FORMULA [ChEBI:] synonym: "[Na+].[Na+].[Na+].[Na+].CCCCCCCCCCCC(=O)CC(=O)N[C@H]1[C@H](O[C@H](CO[C@@H]2O[C@H](COC)[C@@H](OP([O-])([O-])=O)[C@H](OCC[C@@H](CCCCCCC)OC)[C@H]2NC(=O)CCCCCCCCC\\C=C/CCCCCC)[C@@H](O)[C@@H]1OCCCCCCCCCC)OP([O-])([O-])=O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C66H126N2O19P2.4Na/c1-7-11-15-19-22-25-26-27-28-29-30-32-34-38-42-46-57(70)67-60-64(82-49-47-54(80-6)45-41-36-18-14-10-4)62(86-88(73,74)75)56(51-79-5)85-65(60)83-52-55-61(72)63(81-48-43-39-35-24-21-17-13-9-3)59(66(84-55)87-89(76,77)78)68-58(71)50-53(69)44-40-37-33-31-23-20-16-12-8-2;;;;/h25-26,54-56,59-66,72H,7-24,27-52H2,1-6H3,(H,67,70)(H,68,71)(H2,73,74,75)(H2,76,77,78);;;;/q;4*+1/p-4/b26-25-;;;;/t54-,55-,56-,59-,60-,61-,62-,63-,64-,65-,66-;;;;/m1..../s1" RELATED InChI [ChEBI:] synonym: "InChIKey=FEMINZOAAWPBPP-RHMAUSBNSA-J" RELATED InChIKey [ChEBI:] xref: KEGG DRUG:185954-98-7 "CAS Registry Number" xref: KEGG DRUG:D04043 "KEGG DRUG" xref: ChemIDplus:185954-98-7 "CAS Registry Number" is_a: CHEBI:38700 relationship: has_part CHEBI:68611 [Term] id: CHEBI:39077 name: eosin b def: "An organic sodium salt which is the disodium salt of eosin b diphenol." [] synonym: "disodium 4',5'-dibromo-2',7'-dinitro-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthene]-3',6'-diolate" EXACT IUPAC_NAME [IUPAC:] synonym: "C.I. Acid Red 91" RELATED [ChemIDplus:] synonym: "Saffrosine" RELATED [ChemIDplus:] synonym: "Dibromodinitrofluorescein sodium" RELATED [ChemIDplus:] synonym: "Spiro(isobenzofuran-1(3H),9'-(9H)xanthen)-3-one, 4',5'-dibromo-3',6'-dihydroxy-2',7'-dinitro-, disodium salt" RELATED [ChemIDplus:] synonym: "2-(4,5-Dibromo-3,6-dihydroxy-2,7-dinitroxanthen-9-yl)-benzoic acid, disodium salt" RELATED [ChemIDplus:] synonym: "C10H8Br2N2O9.2Na" RELATED FORMULA [ChemIDplus:] synonym: "[Na+].[Na+].[O-]c1c(Br)c2Oc3c(Br)c([O-])c(cc3C3(OC(=O)c4ccccc34)c2cc1[N+]([O-])=O)[N+]([O-])=O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C20H8Br2N2O9.2Na/c21-13-15(25)11(23(28)29)5-9-17(13)32-18-10(6-12(24(30)31)16(26)14(18)22)20(9)8-4-2-1-3-7(8)19(27)33-20;;/h1-6,25-26H;;/q;2*+1/p-2" RELATED InChI [ChEBI:] synonym: "InChIKey=QGAYMQGSQUXCQO-UHFFFAOYSA-L" RELATED InChIKey [ChEBI:] xref: ChemIDplus:548-24-3 "CAS Registry Number" is_a: CHEBI:38700 relationship: has_part CHEBI:68617 relationship: has_role CHEBI:51121 [Term] id: CHEBI:46758 name: sodium 2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanesulfonate def: "A N-(sulfoalkyl)piperazine that has formula C8H17N2NaO4S." [] synonym: "4-(2-hydroxyethyl)-1-piperazineethanesulfonic acid, monosodium salt" RELATED [ChemIDplus:] synonym: "sodium 4-(2-hydroxyethyl)piperazin-1-ylethanesulphonate" RELATED [ChemIDplus:] synonym: "sodium 2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanesulfonate" EXACT IUPAC_NAME [IUPAC:] synonym: "C8H17N2NaO4S" RELATED FORMULA [ChEBI:] synonym: "[Na+].OCCN1CCN(CC1)CCS([O-])(=O)=O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C8H18N2O4S.Na/c11-7-5-9-1-3-10(4-2-9)6-8-15(12,13)14;/h11H,1-8H2,(H,12,13,14);/q;+1/p-1" RELATED InChI [ChEBI:] synonym: "InChIKey=RDZTWEVXRGYCFV-UHFFFAOYSA-M" RELATED InChIKey [ChEBI:] xref: ChemIDplus:75277-39-3 "CAS Registry Number" is_a: CHEBI:38700 relationship: has_part CHEBI:46757 is_a: CHEBI:46851 is_a: CHEBI:46852 [Term] id: CHEBI:4509 name: diclofenac sodium def: "The sodium salt of diclofenac." [] synonym: "sodium diclofenac" RELATED [ChemIDplus:] synonym: "(o-(2,6-dichloroanilino)phenyl)acetic acid sodium salt" RELATED [ChemIDplus:] synonym: "2-((2,6-dichlorophenyl)amino)benzeneacetic acid monosodium salt" RELATED [ChemIDplus:] synonym: "sodium (o-((2,6-dichlorophenyl)amino)phenyl)acetate" RELATED [ChemIDplus:] synonym: "sodium (o-(2,6-dichloroanilino)phenyl)acetate" RELATED [ChemIDplus:] synonym: "sodium {2-[(2,6-dichlorophenyl)amino]phenyl}acetate" EXACT IUPAC_NAME [IUPAC:] synonym: "(o-(2,6-dichloroanilino)phenyl)acetic acid monosodium salt" RELATED [ChemIDplus:] synonym: "C14H10Cl2NNaO2" RELATED FORMULA [ChEBI:] synonym: "C14H10Cl2NO2.Na" RELATED FORMULA [KEGG DRUG:] synonym: "[Na+].[O-]C(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C14H11Cl2NO2.Na/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19;/h1-7,17H,8H2,(H,18,19);/q;+1/p-1" RELATED InChI [ChEBI:] synonym: "InChIKey=KPHWPUGNDIVLNH-UHFFFAOYSA-M" RELATED InChIKey [ChEBI:] xref: DrugBank:DB00586 "DrugBank" xref: ChemIDplus:15307-79-6 "CAS Registry Number" xref: CiteXplore:1502708 "PubMed citation" xref: Beilstein:3581138 "Beilstein Registry Number" xref: KEGG DRUG:D00904 "KEGG DRUG" is_a: CHEBI:38700 relationship: has_part CHEBI:48311 [Term] id: CHEBI:8070 name: phenobarbital sodium def: "A barbiturate." [] synonym: "5-Ethyl-5-phenylbarbituric acid sodium salt" RELATED [ChemIDplus:] synonym: "Sodium phenobarbital" RELATED [ChemIDplus:] synonym: "Sodium phenobarbitone" RELATED [ChemIDplus:] synonym: "Sodium phenobarbiturate" RELATED [ChemIDplus:] synonym: "Phenyl-aethyl-barbitursaeure natrium" RELATED [ChemIDplus:] synonym: "Luminal sodium" RELATED BRAND_NAME [KEGG DRUG:] synonym: "phenobarbital sodique" RELATED INN [ChemIDplus:] synonym: "Phenobarbital sodium salt" RELATED [ChemIDplus:] synonym: "Sodium luminal" RELATED [ChemIDplus:] synonym: "phenobarbital sodium" RELATED INN [ChemIDplus:] synonym: "Sodium 5-ethyl-5-phenylbarbiturate" RELATED [ChemIDplus:] synonym: "Sodium phenylethylmalonylurea" RELATED [ChemIDplus:] synonym: "Sodium phenylethylbarbiturate" RELATED [ChemIDplus:] synonym: "sodium 5-ethyl-4,6-dioxo-5-phenyl-1,4,5,6-tetrahydropyrimidin-2-olate" EXACT IUPAC_NAME [IUPAC:] synonym: "phenobarbitalum natricum" RELATED INN [ChemIDplus:] synonym: "C12H11N2NaO3" RELATED FORMULA [ChEBI:] synonym: "C12H11N2O3.Na" RELATED FORMULA [KEGG DRUG:] synonym: "[Na+].CCC1(C(=O)NC([O-])=NC1=O)c1ccccc1" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C12H12N2O3.Na/c1-2-12(8-6-4-3-5-7-8)9(15)13-11(17)14-10(12)16;/h3-7H,2H2,1H3,(H2,13,14,15,16,17);/q;+1/p-1" RELATED InChI [ChEBI:] synonym: "InChIKey=WRLGYAWRGXKSKG-UHFFFAOYSA-M" RELATED InChIKey [ChEBI:] xref: ChemIDplus:57-30-7 "CAS Registry Number" xref: Beilstein:3802044 "Beilstein Registry Number" xref: CiteXplore:12569987 "PubMed citation" xref: CiteXplore:11994495 "PubMed citation" xref: KEGG DRUG:D00701 "KEGG DRUG" is_a: CHEBI:38700 relationship: has_part CHEBI:8069 is_a: CHEBI:22693 [Term] id: CHEBI:6993 name: montelukast sodium def: "An organic sodium salt that has formula C35H35ClNNaO3S." [] synonym: "Singulair" RELATED BRAND_NAME [ChemIDplus:] synonym: "Sodium 1-((((R)-m -((E)-2-(7-chloro-2-quinolyl)vinyl)-alpha-(o-(1-hydroxy-1-methylethyl)phenethyl)benzyl)thio)methyl)cyclopropaneacetate" RELATED [ChemIDplus:] synonym: "sodium {1-[({(1R)-1-{3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl}-3-[2-(2-hydroxypropan-2-yl)phenyl]propyl}sulfanyl)methyl]cyclopropyl}acetate" EXACT IUPAC_NAME [IUPAC:] synonym: "Montelukast sodium salt" RELATED [Patent:] synonym: "Singular" RELATED BRAND_NAME [DrugBank:] synonym: "Montelukast sodium" EXACT [KEGG COMPOUND:] synonym: "Montair" RELATED BRAND_NAME [DrugBank:] synonym: "1-((((1R)-1-(3-((1E)-2-(7-chloro-2-quinolinyl)ethenyl)phenyl)-3-(2-(1-hydroxy-1-methylethyl)phenyl)propyl)thio)methyl)cyclopropaneacetic acid monosodium salt" RELATED [ChemIDplus:] synonym: "C35H35ClNNaO3S" RELATED FORMULA [ChEBI:] synonym: "[Na+].CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC1)CC([O-])=O)c1cccc(\\C=C\\c2ccc3ccc(Cl)cc3n2)c1" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C35H36ClNO3S.Na/c1-34(2,40)30-9-4-3-7-25(30)13-17-32(41-23-35(18-19-35)22-33(38)39)27-8-5-6-24(20-27)10-15-29-16-12-26-11-14-28(36)21-31(26)37-29;/h3-12,14-16,20-21,32,40H,13,17-19,22-23H2,1-2H3,(H,38,39);/q;+1/p-1/b15-10+;/t32-;/m1./s1" RELATED InChI [ChEBI:] synonym: "InChIKey=LBFBRXGCXUHRJY-HKHDRNBDSA-M" RELATED InChIKey [ChEBI:] xref: Patent:EP1886997 "Patent" xref: ChemIDplus:151767-02-1 "CAS Registry Number" xref: Beilstein:7612011 "Beilstein Registry Number" xref: KEGG COMPOUND:C07483 "KEGG COMPOUND" xref: KEGG COMPOUND:151767-02-1 "CAS Registry Number" is_a: CHEBI:38700 relationship: has_part CHEBI:49165 [Term] id: CHEBI:8769 name: rabeprazole sodium def: "An organic sodium salt that has formula C18H20N3O3S.Na." [] synonym: "Aciphex" RELATED [KEGG DRUG:] synonym: "AcipHex" RELATED BRAND_NAME [DrugBank:] synonym: "Sodium rabeprazole" RELATED [KEGG DRUG:] synonym: "sodium 2-({[4-(3-methoxypropoxy)-3-methylpyridin-2-yl]methyl}sulfinyl)benzimidazol-1-ide" EXACT IUPAC_NAME [IUPAC:] synonym: "Pariet" RELATED BRAND_NAME [DrugBank:] synonym: "Rabeprazole sodium" EXACT [KEGG COMPOUND:] synonym: "C18H20N3O3S.Na" RELATED FORMULA [KEGG COMPOUND:] synonym: "C18H20N3NaO3S" RELATED FORMULA [ChEBI:] synonym: "[Na+].COCCCOc1ccnc(CS(=O)c2nc3ccccc3[n-]2)c1C" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C18H20N3O3S.Na/c1-13-16(19-9-8-17(13)24-11-5-10-23-2)12-25(22)18-20-14-6-3-4-7-15(14)21-18;/h3-4,6-9H,5,10-12H2,1-2H3;/q-1;+1" RELATED InChI [ChEBI:] synonym: "InChIKey=KRCQSTCYZUOBHN-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: KEGG DRUG:D00724 "KEGG DRUG" xref: Beilstein:7561607 "Beilstein Registry Number" xref: KEGG COMPOUND:117976-90-6 "CAS Registry Number" xref: ChemIDplus:117976-90-6 "CAS Registry Number" xref: KEGG COMPOUND:C07865 "KEGG COMPOUND" is_a: CHEBI:38700 relationship: has_part CHEBI:49199 [Term] id: CHEBI:50011 name: Calcofluor White def: "An organic sodium salt that has formula C40H42N12Na2O10S2." [] synonym: "Calcofluor White LRP" RELATED [ChemIDplus:] synonym: "C.I. Fluorescent Brightening Agent 28, disodium salt" RELATED [ChemIDplus:] synonym: "Fluorescent Brightener 28" RELATED [ChemIDplus:] synonym: "disodium 4,4'-bis(6-anilino-(4-(bis(2-hydroxyethyl)amino)-1,3,5-triazin-2-yl)amino)stilbene-2,2'-disulphonate" RELATED [ChemIDplus:] synonym: "4,4'-bis((2-anilino-4-(bis(2-hydroxyethyl)amino)-1,3,5-triazin-6-yl)amino)stilbene-2,2'-disulfonic acid, disodium salt" RELATED [ChemIDplus:] synonym: "Calcofluor White M 2R" RELATED [ChemIDplus:] synonym: "Cellufluor" RELATED [ChemIDplus:] synonym: "4,4'-bis((4-anilino-6-bis(2-hydroxyethyl)amino-s-triazin-2-yl)amino)-2,2'-stilbenedisulfonic acid, disodium salt" RELATED [ChemIDplus:] synonym: "disodium 2,2'-ethene-1,2-diylbis[5-({4-anilino-6-[bis(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl}amino)benzenesulfonate]" EXACT IUPAC_NAME [IUPAC:] synonym: "C.I. 40622" RELATED [ChEBI:] synonym: "Calcofluor White ST" RELATED [ChemIDplus:] synonym: "C40H42N12Na2O10S2" RELATED FORMULA [ChEBI:] synonym: "[Na+].[Na+].[H]C(=C([H])c1ccc(Nc2nc(Nc3ccccc3)nc(n2)N(CCO)CCO)cc1S([O-])(=O)=O)c1ccc(Nc2nc(Nc3ccccc3)nc(n2)N(CCO)CCO)cc1S([O-])(=O)=O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C40H44N12O10S2.2Na/c53-21-17-51(18-22-54)39-47-35(41-29-7-3-1-4-8-29)45-37(49-39)43-31-15-13-27(33(25-31)63(57,58)59)11-12-28-14-16-32(26-34(28)64(60,61)62)44-38-46-36(42-30-9-5-2-6-10-30)48-40(50-38)52(19-23-55)20-24-56;;/h1-16,25-26,53-56H,17-24H2,(H,57,58,59)(H,60,61,62)(H2,41,43,45,47,49)(H2,42,44,46,48,50);;/q;2*+1/p-2" RELATED InChI [ChEBI:] synonym: "InChIKey=YJHDFAAFYNRKQE-UHFFFAOYSA-L" RELATED InChIKey [ChEBI:] xref: Beilstein:8385272 "Beilstein Registry Number" xref: ChemIDplus:4193-55-9 "CAS Registry Number" is_a: CHEBI:38700 relationship: has_part CHEBI:50012 [Term] id: CHEBI:50144 name: sodium pyruvate def: "An organic sodium salt that has formula C3H3NaO3." [] synonym: "pyruvic acid, sodium salt" RELATED [ChemIDplus:] synonym: "sodium 2-oxopropanoate" EXACT IUPAC_NAME [IUPAC:] synonym: "Natriumpyruvat" RELATED [ChEBI:] synonym: "C3H3NaO3" RELATED FORMULA [ChEBI:] synonym: "[Na+].CC(=O)C([O-])=O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C3H4O3.Na/c1-2(4)3(5)6;/h1H3,(H,5,6);/q;+1/p-1" RELATED InChI [ChEBI:] synonym: "InChIKey=DAEPDZWVDSPTHF-UHFFFAOYSA-M" RELATED InChIKey [ChEBI:] xref: ChemIDplus:113-24-6 "CAS Registry Number" xref: Beilstein:3568341 "Beilstein Registry Number" xref: Gmelin:97013 "Gmelin Registry Number" is_a: CHEBI:38700 relationship: has_part CHEBI:15361 [Term] id: CHEBI:30952 name: sodium thiocyanate def: "An organic sodium salt which is the monosodium salt of thiocyanic acid." [] synonym: "sodium rhodanide" RELATED [ChemIDplus:] synonym: "NaSCN" RELATED [IUPAC:] synonym: "sodium rhodanate" RELATED [ChemIDplus:] synonym: "sodium sulfocyanate" RELATED [ChemIDplus:] synonym: "thiocyanate sodium" RELATED [ChemIDplus:] synonym: "sodium thiocyanate" EXACT IUPAC_NAME [IUPAC:] synonym: "CNNaS" RELATED FORMULA [ChEBI:] synonym: "[Na+].[S-]C#N" RELATED SMILES [ChEBI:] synonym: "InChI=1S/CHNS.Na/c2-1-3;/h3H;/q;+1/p-1" RELATED InChI [ChEBI:] synonym: "InChIKey=VGTPCRGMBIAPIM-UHFFFAOYSA-M" RELATED InChIKey [ChEBI:] xref: ChemIDplus:540-72-7 "CAS Registry Number" xref: Beilstein:3594965 "Beilstein Registry Number" xref: Gmelin:1249825 "Gmelin Registry Number" is_a: CHEBI:38700 relationship: has_part CHEBI:18022 [Term] id: CHEBI:10034 name: warfarin sodium def: "An organic sodium salt that has formula C19H15NaO4." [] synonym: "(+-)-Warfarin sodium" RELATED [ChemIDplus:] synonym: "Coumadin" RELATED BRAND_NAME [DrugBank:] synonym: "Jantoven" RELATED BRAND_NAME [DrugBank:] synonym: "Sodium warfarin" RELATED [ChemIDplus:] synonym: "3-(alpha-Acetonylbenzyl)-4-hydroxycoumarin sodium salt" RELATED [ChemIDplus:] synonym: "sodium 2-oxo-3-(3-oxo-1-phenylbutyl)-2H-benzopyran-4-olate" EXACT IUPAC_NAME [IUPAC:] synonym: "Sodium coumadin" RELATED [ChemIDplus:] synonym: "Maveran" RELATED BRAND_NAME [DrugBank:] synonym: "C19H15NaO4" RELATED FORMULA [ChEBI:] synonym: "C19H15O4.Na" RELATED FORMULA [ChEBI:] synonym: "[Na+].CC(=O)CC(c1ccccc1)c1c([O-])c2ccccc2oc1=O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C19H16O4.Na/c1-12(20)11-15(13-7-3-2-4-8-13)17-18(21)14-9-5-6-10-16(14)23-19(17)22;/h2-10,15,21H,11H2,1H3;/q;+1/p-1" RELATED InChI [ChEBI:] synonym: "InChIKey=KYITYFHKDODNCQ-UHFFFAOYSA-M" RELATED InChIKey [ChEBI:] xref: DrugBank:DB00682 "DrugBank" xref: Beilstein:5469050 "Beilstein Registry Number" xref: ChemIDplus:129-06-6 "CAS Registry Number" xref: KEGG DRUG:D00564 "KEGG DRUG" is_a: CHEBI:38700 relationship: has_part CHEBI:50393 [Term] id: CHEBI:32139 name: sodium hydrogencarbonate def: "An one-carbon compound that has formula CHO3.Na." [] synonym: "sodium hydrogen carbonate" RELATED [ChemIDplus:] synonym: "sodium acid carbonate" RELATED [ChemIDplus:] synonym: "sodium hydrogencarbonate" EXACT IUPAC_NAME [IUPAC:] synonym: "NaHCO3" RELATED [IUPAC:] synonym: "bicarbonate of soda" RELATED [ChemIDplus:] synonym: "baking soda" RELATED [ChemIDplus:] synonym: "Sodium bicarbonate" RELATED [KEGG COMPOUND:] synonym: "Natriumhydrogenkarbonat" RELATED [ChemIDplus:] synonym: "carbonic acid monosodium salt" RELATED [ChemIDplus:] synonym: "CHO3.Na" RELATED FORMULA [KEGG COMPOUND:] synonym: "CHNaO3" RELATED FORMULA [ChEBI:] synonym: "[Na+].OC([O-])=O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/CH2O3.Na/c2-1(3)4;/h(H2,2,3,4);/q;+1/p-1" RELATED InChI [ChEBI:] synonym: "InChIKey=UIIMBOGNXHQVGW-UHFFFAOYSA-M" RELATED InChIKey [ChEBI:] xref: DrugBank:DB01390 "DrugBank" xref: KEGG COMPOUND:C12603 "KEGG COMPOUND" xref: KEGG COMPOUND:144-55-8 "CAS Registry Number" xref: Wikipedia:Sodium_Bicarbonate "Wikipedia" xref: ChemIDplus:144-55-8 "CAS Registry Number" is_a: CHEBI:38700 relationship: has_part CHEBI:17544 is_a: CHEBI:64708 relationship: has_role CHEBI:65265 [Term] id: CHEBI:29321 name: sodium nitroprusside def: "An organic sodium salt that has formula C5FeN6Na2O." [] synonym: "Na2[Fe(CN)5(NO)]" RELATED [IUPAC:] synonym: "sodium pentacyanidonitrosylferrate(2-)" EXACT IUPAC_NAME [IUPAC:] synonym: "disodium pentacyanidonitrosylferrate" RELATED [IUPAC:] synonym: "sodium pentacyanidonitrosylferrate(III)" EXACT IUPAC_NAME [IUPAC:] synonym: "Sodium nitroprusside anhydrous" RELATED [ChemIDplus:] synonym: "C5FeN6Na2O" RELATED FORMULA [ChEBI:] synonym: "[Na+].[Na+].O=N[Fe--](C#N)(C#N)(C#N)(C#N)C#N" RELATED SMILES [ChEBI:] synonym: "InChI=1S/5CN.Fe.NO.2Na/c5*1-2;;1-2;;/q;;;;;2*-1;2*+1" RELATED InChI [ChEBI:] synonym: "InChIKey=FPWUWQVZUNFZQM-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: ChemIDplus:14402-89-2 "CAS Registry Number" is_a: CHEBI:38700 relationship: has_part CHEBI:7596 [Term] id: CHEBI:9179 name: sodium nitroprusside dihydrate def: "A hydrate that has formula C5FeH4N6Na2O3." [] synonym: "sodium pentacyanidonitrosylferrate(2-) dihydrate" EXACT IUPAC_NAME [IUPAC:] synonym: "sodium pentacyanidonitrosylferrate(III) dihydrate" EXACT IUPAC_NAME [IUPAC:] synonym: "Sodium nitroprusside dihydrate" EXACT [KEGG COMPOUND:] synonym: "disodium pentacyanidonitrosylferrate--water (1/2)" RELATED [IUPAC:] synonym: "Na2[Fe(CN)5(NO)].2H2O" RELATED [IUPAC:] synonym: "Nitropress" RELATED BRAND_NAME [KEGG DRUG:] synonym: "C5FeH4N6Na2O3" RELATED FORMULA [ChEBI:] synonym: "C5FeN6O.2H2O.2Na" RELATED FORMULA [KEGG COMPOUND:] synonym: "[Na+].[Na+].[H]O[H].[H]O[H].O=N[Fe--](C#N)(C#N)(C#N)(C#N)C#N" RELATED SMILES [ChEBI:] synonym: "InChI=1S/5CN.Fe.NO.2Na.2H2O/c5*1-2;;1-2;;;;/h;;;;;;;;;2*1H2/q;;;;;2*-1;2*+1;;" RELATED InChI [ChEBI:] synonym: "InChIKey=OIRZWVYIQXBRFC-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: KEGG COMPOUND:13755-38-9 "CAS Registry Number" xref: KEGG COMPOUND:C07695 "KEGG COMPOUND" xref: KEGG DRUG:D00614 "KEGG DRUG" xref: ChemIDplus:13755-38-9 "CAS Registry Number" is_a: CHEBI:35505 relationship: has_part CHEBI:29321 [Term] id: CHEBI:9925 name: sodium valproate def: "The sodium salt of valproic acid." [] synonym: "Depakene" RELATED [KEGG COMPOUND:] synonym: "Epilim" RELATED [ChemIDplus:] synonym: "2-Propylvaleric acid sodium salt" RELATED [KEGG COMPOUND:] synonym: "Valproate sodium" RELATED [KEGG COMPOUND:] synonym: "sodium 2-propylpentanoate" EXACT IUPAC_NAME [IUPAC:] synonym: "C8H15O2Na" RELATED FORMULA [ChEBI:] synonym: "[Na+].CCCC(CCC)C([O-])=O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C8H16O2.Na/c1-3-5-7(6-4-2)8(9)10;/h7H,3-6H2,1-2H3,(H,9,10);/q;+1/p-1" RELATED InChI [ChEBI:] synonym: "InChIKey=AEQFSUDEHCCHBT-UHFFFAOYSA-M" RELATED InChIKey [ChEBI:] xref: ChemIDplus:1069-66-5 "CAS Registry Number" is_a: CHEBI:38700 relationship: has_part CHEBI:60654 [Term] id: CHEBI:4667 name: valproate semisodium def: "A mixture of valproic acid and its sodium salt in a 1:1 molar ratio. It is used for the management and treatment of seizure disorders, mania, and prophylactic treatment of migraine headache." [] synonym: "sodium hydrogen bis(2-propylvalerate)" RELATED [ChemIDplus:] synonym: "sodium 2-propylpentanoate--2-propylpentanoic acid (1:1)" EXACT IUPAC_NAME [IUPAC:] synonym: "valproate semisodium" RELATED INN [ChEBI:] synonym: "divalproex sodium" RELATED [ChemIDplus:] synonym: "valproatum seminatricum" RELATED INN [ChemIDplus:] synonym: "sodium hydrogen divalproate" RELATED [ChemIDplus:] synonym: "valproate semisodique" RELATED INN [ChemIDplus:] synonym: "semisodium valproate" RELATED [ChEBI:] synonym: "valproato semisodico" RELATED INN [ChemIDplus:] synonym: "sodium hydrogen bis(2-propylpentanoate)" RELATED [ChemIDplus:] synonym: "sodium divalproate" RELATED [ChemIDplus:] synonym: "C16H31NaO4" RELATED FORMULA [ChEBI:] synonym: "[Na+].CCCC(CCC)C(O)=O.CCCC(CCC)C([O-])=O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/2C8H16O2.Na/c2*1-3-5-7(6-4-2)8(9)10;/h2*7H,3-6H2,1-2H3,(H,9,10);/q;;+1/p-1" RELATED InChI [ChEBI:] synonym: "InChIKey=MSRILKIQRXUYCT-UHFFFAOYSA-M" RELATED InChIKey [ChEBI:] xref: ChemIDplus:76584-70-8 "CAS Registry Number" xref: KEGG DRUG:76584-70-8 "CAS Registry Number" xref: KEGG DRUG:D00304 "KEGG DRUG" xref: DrugBank:DB00510 "DrugBank" xref: Beilstein:8462424 "Beilstein Registry Number" is_a: CHEBI:38700 relationship: has_part CHEBI:39867 relationship: has_part CHEBI:9925 relationship: has_role CHEBI:35477 relationship: has_role CHEBI:35623 relationship: has_role CHEBI:51374 [Term] id: CHEBI:31163 name: acetazolamide sodium def: "An organic sodium salt that has formula C4H5N4O3S2.Na." [] synonym: "sodium [(5-acetamido-1,3,4-thiadiazol-2-yl)sulfonyl]azanide" EXACT IUPAC_NAME [IUPAC:] synonym: "Diamox" RELATED BRAND_NAME [DrugBank:] synonym: "Sodium acetazolamide" RELATED [ChemIDplus:] synonym: "N-(5-Sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide monosodium salt" RELATED [ChemIDplus:] synonym: "C4H5N4O3S2.Na" RELATED FORMULA [KEGG DRUG:] synonym: "[Na+].CC(=O)Nc1nnc(s1)S([NH-])(=O)=O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C4H6N4O3S2.Na/c1-2(9)6-3-7-8-4(12-3)13(5,10)11;/h1H3,(H3,5,6,7,9,10,11);/q;+1/p-1" RELATED InChI [ChEBI:] synonym: "InChIKey=MRSXAJAOWWFZJJ-UHFFFAOYSA-M" RELATED InChIKey [ChEBI:] xref: KEGG DRUG:D01196 "KEGG DRUG" xref: ChemIDplus:1424-27-7 "CAS Registry Number" xref: DrugBank:DB00819 "DrugBank" is_a: CHEBI:38700 relationship: has_part CHEBI:27690 relationship: has_part CHEBI:50634 [Term] id: CHEBI:2566 name: alendronate sodium def: "An organic sodium salt that has formula C4H12NO7P2.3H2O.Na." [] synonym: "Adronat" RELATED BRAND_NAME [DrugBank:] synonym: "Fosamax" RELATED BRAND_NAME [DrugBank:] synonym: "Alendros" RELATED BRAND_NAME [DrugBank:] synonym: "sodium hydrogen (4-amino-1-hydroxy-1-phosphonobutyl)phosphonate trihydrate" EXACT IUPAC_NAME [IUPAC:] synonym: "Arendal" RELATED BRAND_NAME [DrugBank:] synonym: "Monosodium (4-amino-1-hydroxybutylidene)bisphosphonate trihydrate" RELATED [ChemIDplus:] synonym: "C4H12NO7P2.3H2O.Na" RELATED FORMULA [KEGG DRUG:] synonym: "C4H18NNaO10P2" RELATED FORMULA [ChEBI:] synonym: "O.O.O.[Na+].NCCCC(O)(P(O)(O)=O)P(O)([O-])=O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C4H13NO7P2.Na.3H2O/c5-3-1-2-4(6,13(7,8)9)14(10,11)12;;;;/h6H,1-3,5H2,(H2,7,8,9)(H2,10,11,12);;3*1H2/q;+1;;;/p-1" RELATED InChI [ChEBI:] synonym: "InChIKey=DCSBSVSZJRSITC-UHFFFAOYSA-M" RELATED InChIKey [ChEBI:] xref: ChemIDplus:121268-17-5 "CAS Registry Number" xref: Beilstein:6947932 "Beilstein Registry Number" xref: KEGG DRUG:D00939 "KEGG DRUG" xref: DrugBank:DB00630 "DrugBank" is_a: CHEBI:38700 relationship: has_part CHEBI:50647 [Term] id: CHEBI:34535 name: ampicillin sodium def: "An organic sodium salt that has formula C16H18N3O4S.Na." [] synonym: "sodium ampicillin" RELATED [ChemIDplus:] synonym: "Ampicillin sodium" EXACT [KEGG COMPOUND:] synonym: "D(-)-alpha-aminobenzylpenicillin sodium salt" RELATED [ChemIDplus:] synonym: "Austrapen" RELATED BRAND_NAME [DrugBank:] synonym: "sodium D-(-)-alpha-aminobenzylpenicillin" RELATED [ChemIDplus:] synonym: "ampicillin natrium" RELATED [ChemIDplus:] synonym: "Binotal" RELATED BRAND_NAME [DrugBank:] synonym: "sodium 6beta-[(2R)-2-amino-2-phenylacetamido]-2,2-dimethylpenam-3alpha-carboxylate" EXACT IUPAC_NAME [IUPAC:] synonym: "sodium (2S,5R,6R)-6-{[(2R)-2-amino-2-phenylacetyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate" RELATED [IUPAC:] synonym: "monosodium D-(-)-6-(2-amino-2-phenylacetamido)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylate" RELATED [ChemIDplus:] synonym: "C16H18N3O4S.Na" RELATED FORMULA [KEGG COMPOUND:] synonym: "[Na+].[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)[C@H](N)c1ccccc1)C([O-])=O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C16H19N3O4S.Na/c1-16(2)11(15(22)23)19-13(21)10(14(19)24-16)18-12(20)9(17)8-6-4-3-5-7-8;/h3-7,9-11,14H,17H2,1-2H3,(H,18,20)(H,22,23);/q;+1/p-1/t9-,10-,11+,14-;/m1./s1" RELATED InChI [ChEBI:] synonym: "InChIKey=KLOHDWPABZXLGI-YWUHCJSESA-M" RELATED InChIKey [ChEBI:] xref: KEGG DRUG:D02119 "KEGG DRUG" xref: KEGG COMPOUND:C13652 "KEGG COMPOUND" xref: DrugBank:DB00415 "DrugBank" xref: Beilstein:5403793 "Beilstein Registry Number" xref: ChemIDplus:69-52-3 "CAS Registry Number" is_a: CHEBI:38700 relationship: has_part CHEBI:50658 [Term] id: CHEBI:50682 name: methotrexate monosodium def: "An organic sodium salt that has formula C20H21N8NaO5." [] synonym: "sodium (2S)-4-carboxy-2-(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)amino}benzamido)butanoate" EXACT IUPAC_NAME [IUPAC:] synonym: "C20H21N8NaO5" RELATED FORMULA [ChEBI:] synonym: "C20H21N8O5.Na" RELATED FORMULA [ChEBI:] synonym: "[Na+].CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C([O-])=O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C20H22N8O5.Na/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30;/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27);/q;+1/p-1/t13-;/m0./s1" RELATED InChI [ChEBI:] synonym: "InChIKey=BKBBTCORRZMASO-ZOWNYOTGSA-M" RELATED InChIKey [ChEBI:] xref: Beilstein:50682 "Beilstein Registry Number" is_a: CHEBI:38700 relationship: has_part CHEBI:50680 [Term] id: CHEBI:50679 name: methotrexate disodium def: "An organic sodium salt that is the disodium salt of methotrexate." [] synonym: "Ledertrexate" RELATED BRAND_NAME [DrugBank:] synonym: "Emtexate" RELATED BRAND_NAME [DrugBank:] synonym: "disodium (2S)-2-(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)amino}benzamido)pentanedioate" EXACT IUPAC_NAME [IUPAC:] synonym: "Rheumatrex" RELATED BRAND_NAME [DrugBank:] synonym: "methotrexate sodium" RELATED [ChEBI:] synonym: "C20H20N8Na2O5" RELATED FORMULA [ChEBI:] synonym: "C20H20N8O5.2Na" RELATED FORMULA [ChEBI:] synonym: "[Na+].[Na+].CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N[C@@H](CCC([O-])=O)C([O-])=O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C20H22N8O5.2Na/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30;;/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27);;/q;2*+1/p-2/t13-;;/m0../s1" RELATED InChI [ChEBI:] synonym: "InChIKey=DASQOOZCTWOQPA-GXKRWWSZSA-L" RELATED InChIKey [ChEBI:] xref: Beilstein:6045736 "Beilstein Registry Number" xref: DrugBank:DB00563 "DrugBank" is_a: CHEBI:38700 relationship: has_part CHEBI:50681 relationship: has_role CHEBI:50683 [Term] id: CHEBI:50732 name: adenosine triphosphate disodium def: "An organic sodium salt that has formula C10H14N5Na2O13P3." [] synonym: "Adenosine 5'-triphosphate disodium salt" RELATED [ChemIDplus:] synonym: "Striadyne" RELATED BRAND_NAME [DrugBank:] synonym: "disodium 5'-O-(hydroxy{[hydroxy(phosphonatooxy)phosphoryl]oxy}phosphoryl)adenosine" EXACT IUPAC_NAME [IUPAC:] synonym: "Disodium adenosine 5'-triphosphate" RELATED [ChemIDplus:] synonym: "C10H14N5Na2O13P3" RELATED FORMULA [ChEBI:] synonym: "[Na+].[Na+].Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP([O-])([O-])=O)[C@@H](O)[C@H]1O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C10H16N5O13P3.2Na/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20;;/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20);;/q;2*+1/p-2/t4-,6-,7-,10-;;/m1../s1" RELATED InChI [ChEBI:] synonym: "InChIKey=TTWYZDPBDWHJOR-IDIVVRGQSA-L" RELATED InChIKey [ChEBI:] xref: DrugBank:DB00171 "DrugBank" xref: ChemIDplus:987-65-5 "CAS Registry Number" is_a: CHEBI:38700 relationship: has_part CHEBI:15422 relationship: has_part CHEBI:237958 [Term] id: CHEBI:6446 name: levothyroxine sodium anhydrous def: "The sodium salt of L-thyoxine. It is used as replacement therapy in the treatment of hypothyroidism." [] synonym: "Thyrax" RELATED BRAND_NAME [DrugBank:] synonym: "Unithroid" RELATED BRAND_NAME [DrugBank:] synonym: "levotiroxina de sodio" RELATED INN [ChEBI:] synonym: "3,3',5,5'-Tetraiodo-L-thyronine, sodium salt" RELATED [ChemIDplus:] synonym: "levothyroxine sodique" RELATED INN [ChemIDplus:] synonym: "Levothyrox" RELATED BRAND_NAME [DrugBank:] synonym: "Levoxyl" RELATED BRAND_NAME [DrugBank:] synonym: "Levothyroxine sodium anhydrous" EXACT [KEGG COMPOUND:] synonym: "Synthroid" RELATED BRAND_NAME [DrugBank:] synonym: "levothyroxine sodium" RELATED INN [ChemIDplus:] synonym: "Levaxin" RELATED BRAND_NAME [DrugBank:] synonym: "sodium (2S)-2-amino-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]propanoate" EXACT IUPAC_NAME [IUPAC:] synonym: "Eltroxin" RELATED BRAND_NAME [DrugBank:] synonym: "Novothyrox" RELATED BRAND_NAME [DrugBank:] synonym: "Sodium thyroxinate" RELATED [ChemIDplus:] synonym: "Letter" RELATED BRAND_NAME [DrugBank:] synonym: "L-Thyroxine sodium" RELATED [ChemIDplus:] synonym: "Levothroid" RELATED BRAND_NAME [DrugBank:] synonym: "L-Thyroxine monosodium salt" RELATED [ChemIDplus:] synonym: "levothyroxinum natricum" RELATED INN [ChemIDplus:] synonym: "Sodium L-thyroxine" RELATED [ChemIDplus:] synonym: "Sodium levothyroxine" RELATED [ChemIDplus:] synonym: "Euthyrox" RELATED BRAND_NAME [DrugBank:] synonym: "C15H10I4NO4.Na" RELATED FORMULA [KEGG COMPOUND:] synonym: "[Na+].N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)C([O-])=O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C15H11I4NO4.Na/c16-8-4-7(5-9(17)13(8)21)24-14-10(18)1-6(2-11(14)19)3-12(20)15(22)23;/h1-2,4-5,12,21H,3,20H2,(H,22,23);/q;+1/p-1/t12-;/m0./s1" RELATED InChI [ChEBI:] synonym: "InChIKey=YDTFRJLNMPSCFM-YDALLXLXSA-M" RELATED InChIKey [ChEBI:] xref: KEGG COMPOUND:C08212 "KEGG COMPOUND" xref: Beilstein:5721845 "Beilstein Registry Number" xref: ChemIDplus:55-03-8 "CAS Registry Number" xref: CiteXplore:17634708 "PubMed citation" xref: DrugBank:DB00451 "DrugBank" is_a: CHEBI:38700 relationship: has_part CHEBI:60302 [Term] id: CHEBI:8389 name: estrone sodium sulfate def: "A steroid sulfate that has formula C18H21O5S.Na." [] synonym: "Estrogenic substances (conjugated)" RELATED [ChemIDplus:] synonym: "Oestrone-3-sulphate sodium salt" RELATED [ChemIDplus:] synonym: "Sodium estrone 3-sulfate" RELATED [ChemIDplus:] synonym: "Premarin" RELATED BRAND_NAME [DrugBank:] synonym: "sodium 17-oxoestra-1(10),2,4-trien-3-yl sulfate" EXACT IUPAC_NAME [IUPAC:] synonym: "17-Oxoestra-1,3,5(10)-trien-3-yl sodium sulfate" RELATED [ChemIDplus:] synonym: "Estrone sulfate sodium" RELATED [ChEBI:] synonym: "Estrone-3-sulfate sodium salt" RELATED [ChemIDplus:] synonym: "Estrone sodium sulfate" EXACT [ChemIDplus:] synonym: "C18H21O5S.Na" RELATED FORMULA [KEGG DRUG:] synonym: "[Na+].[H][C@]12CC[C@]3(C)C(=O)CC[C@@]3([H])[C@]1([H])CCc1cc(OS([O-])(=O)=O)ccc21" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C18H22O5S.Na/c1-18-9-8-14-13-5-3-12(23-24(20,21)22)10-11(13)2-4-15(14)16(18)6-7-17(18)19;/h3,5,10,14-16H,2,4,6-9H2,1H3,(H,20,21,22);/q;+1/p-1/t14-,15-,16+,18+;/m1./s1" RELATED InChI [ChEBI:] synonym: "InChIKey=VUCAHVBMSFIGAI-ZFINNJDLSA-M" RELATED InChIKey [ChEBI:] xref: KEGG DRUG:D00312 "KEGG DRUG" xref: DrugBank:DB00286 "DrugBank" xref: ChemIDplus:438-67-5 "CAS Registry Number" xref: Beilstein:3835414 "Beilstein Registry Number" relationship: has_functional_parent CHEBI:17263 is_a: CHEBI:16158 is_a: CHEBI:38700 [Term] id: CHEBI:50270 name: pantoprazole sodium def: "An organic sodium salt that has formula C16H14F2N3NaO4S." [] synonym: "sodium 5-(difluoromethoxy)-2-{[(3,4-dimethoxypyridin-2-yl)methyl]sulfinyl}benzimidazol-1-ide" EXACT IUPAC_NAME [IUPAC:] synonym: "Citrel" RELATED BRAND_NAME [ChEBI:] synonym: "Protium" RELATED BRAND_NAME [DrugBank:] synonym: "Protonix" RELATED BRAND_NAME [DrugBank:] synonym: "C16H14F2N3NaO4S" RELATED FORMULA [ChEBI:] synonym: "[Na+].COc1ccnc(CS(=O)c2nc3cc(OC(F)F)ccc3[n-]2)c1OC" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C16H14F2N3O4S.Na/c1-23-13-5-6-19-12(14(13)24-2)8-26(22)16-20-10-4-3-9(25-15(17)18)7-11(10)21-16;/h3-7,15H,8H2,1-2H3;/q-1;+1" RELATED InChI [ChEBI:] synonym: "InChIKey=YNWDKZIIWCEDEE-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: DrugBank:DB00213 "DrugBank" xref: ChemIDplus:138786-67-1 "CAS Registry Number" xref: Beilstein:5372611 "Beilstein Registry Number" relationship: has_role CHEBI:49200 relationship: has_role CHEBI:49201 relationship: has_part CHEBI:50358 is_a: CHEBI:38700 [Term] id: CHEBI:6484 name: liothyronine sodium def: "The sodium salt of liothyronine. Thought to be more active than levothyroxine and with a rapid (few hours) onset and short duration of action, liothyronine sodium is used in the treatment of hypothyroidism, particularly in cases of hypothyroid coma." [] synonym: "Triostat" RELATED BRAND_NAME [DrugBank:] synonym: "Cytomel" RELATED BRAND_NAME [DrugBank:] synonym: "3,3',5-Triiodothyronine sodium salt" RELATED [ChemIDplus:] synonym: "3,3',5-Triiodo-L-thyronine sodium" RELATED [ChemIDplus:] synonym: "Monosodium L-3-(4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl)alanine" RELATED [ChemIDplus:] synonym: "sodium (2S)-2-amino-3-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]propanoate" EXACT IUPAC_NAME [IUPAC:] synonym: "C15H11I3NO4.Na" RELATED FORMULA [KEGG DRUG:] synonym: "C15H11I3NNaO4" RELATED FORMULA [ChEBI:] synonym: "[Na+].N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C([O-])=O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C15H12I3NO4.Na/c16-9-6-8(1-2-13(9)20)23-14-10(17)3-7(4-11(14)18)5-12(19)15(21)22;/h1-4,6,12,20H,5,19H2,(H,21,22);/q;+1/p-1/t12-;/m0./s1" RELATED InChI [ChEBI:] synonym: "InChIKey=SBXXSUDPJJJJLC-YDALLXLXSA-M" RELATED InChIKey [ChEBI:] xref: ChemIDplus:55-06-1 "CAS Registry Number" xref: Beilstein:8179867 "Beilstein Registry Number" xref: KEGG DRUG:D01011 "KEGG DRUG" xref: CiteXplore:17634708 "PubMed citation" xref: Wikipedia:Liothyronine_Sodium "Wikipedia" is_a: CHEBI:38700 relationship: has_part CHEBI:60308 [Term] id: CHEBI:31562 name: estramustine sodium phosphate def: "An organic sodium salt which is the disodium salt of estramustine phosphate." [] synonym: "Estramustine phosphate disodium" RELATED [ChemIDplus:] synonym: "Estracyt" RELATED BRAND_NAME [DrugBank:] synonym: "disodium (17beta)-3-{[bis(2-chloroethyl)carbamoyl]oxy}estra-1(10),2,4-trien-17-yl phosphate" EXACT IUPAC_NAME [IUPAC:] synonym: "Emcyt" RELATED BRAND_NAME [DrugBank:] synonym: "Estradiol 3-(bis(2-chloroethyl)carbamate) 17-(dihydrogen phosphate), disodium salt" RELATED [ChemIDplus:] synonym: "C23H30Cl2NNa2O6P" RELATED FORMULA [ChEBI:] synonym: "C23H30Cl2NO6P.2Na" RELATED FORMULA [KEGG COMPOUND:] synonym: "[Na+].[Na+].[H][C@]12CC[C@]3(C)[C@H](CC[C@@]3([H])[C@]1([H])CCc1cc(OC(=O)N(CCCl)CCCl)ccc21)OP([O-])([O-])=O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C23H32Cl2NO6P.2Na/c1-23-9-8-18-17-5-3-16(31-22(27)26(12-10-24)13-11-25)14-15(17)2-4-19(18)20(23)6-7-21(23)32-33(28,29)30;;/h3,5,14,18-21H,2,4,6-13H2,1H3,(H2,28,29,30);;/q;2*+1/p-2/t18-,19-,20+,21+,23+;;/m1../s1" RELATED InChI [ChEBI:] synonym: "InChIKey=IIUMCNJTGSMNRO-VVSKJQCTSA-L" RELATED InChIKey [ChEBI:] xref: KEGG DRUG:D02398 "KEGG DRUG" xref: DrugBank:DB01196 "DrugBank" xref: CiteXplore:20724808 "PubMed citation" xref: KEGG COMPOUND:C13031 "KEGG COMPOUND" xref: ChemIDplus:52205-73-9 "CAS Registry Number" is_a: CHEBI:38700 relationship: has_part CHEBI:68644 [Term] id: CHEBI:50863 name: treprostinil sodium def: "An organic sodium salt that has formula C23H33NaO5." [] synonym: "Remodulin" RELATED BRAND_NAME [DrugBank:] synonym: "sodium ({(1R,2R,3aS,9aS)-2-hydroxy-1-[(3S)-3-hydroxyoctyl]-2,3,3a,4,9,9a-hexahydro-1H-cyclopenta[b]naphthalen-5-yl}oxy)acetate" EXACT IUPAC_NAME [IUPAC:] synonym: "C23H33NaO5" RELATED FORMULA [ChEBI:] synonym: "[Na+].[H][C@]12C[C@@H](O)[C@H](CC[C@@H](O)CCCCC)[C@@]1([H])Cc1cccc(OCC([O-])=O)c1C2" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C23H34O5.Na/c1-2-3-4-7-17(24)9-10-18-19-11-15-6-5-8-22(28-14-23(26)27)20(15)12-16(19)13-21(18)25;/h5-6,8,16-19,21,24-25H,2-4,7,9-14H2,1H3,(H,26,27);/q;+1/p-1/t16-,17-,18+,19-,21+;/m0./s1" RELATED InChI [ChEBI:] synonym: "InChIKey=IQKAWAUTOKVMLE-ZSESPEEFSA-M" RELATED InChIKey [ChEBI:] xref: DrugBank:DB00374 "DrugBank" xref: ChemIDplus:289480-64-4 "CAS Registry Number" is_a: CHEBI:38700 relationship: has_part CHEBI:50861 [Term] id: CHEBI:3078 name: betamethasone sodium phosphate def: "An organic sodium salt that is the disodium salt of betamethasone phosphate." [] synonym: "Betamethasone 21-disodium phosphate" RELATED [ChemIDplus:] synonym: "Betamethazone disodium phosphate" RELATED [ChemIDplus:] synonym: "9-Fluoro-11beta,17,21-trihydroxy-16beta-methylpregna-1,4-diene-3,20-dione 21-(disodium phosphate)" RELATED [ChemIDplus:] synonym: "disodium 9-fluoro-11beta,17-dihydroxy-16beta-methyl-3,20-dioxopregna-1,4-dien-21-yl phosphate" EXACT IUPAC_NAME [IUPAC:] synonym: "C22H28FNa2O8P" RELATED FORMULA [ChEBI:] synonym: "C22H28FO8P.2Na" RELATED FORMULA [KEGG DRUG:] synonym: "[Na+].[Na+].[H][C@@]12C[C@H](C)[C@](O)(C(=O)COP([O-])([O-])=O)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C22H30FO8P.2Na/c1-12-8-16-15-5-4-13-9-14(24)6-7-19(13,2)21(15,23)17(25)10-20(16,3)22(12,27)18(26)11-31-32(28,29)30;;/h6-7,9,12,15-17,25,27H,4-5,8,10-11H2,1-3H3,(H2,28,29,30);;/q;2*+1/p-2/t12-,15-,16-,17-,19-,20-,21-,22-;;/m0../s1" RELATED InChI [ChEBI:] synonym: "InChIKey=PLCQGRYPOISRTQ-LWCNAHDDSA-L" RELATED InChIKey [ChEBI:] xref: DrugBank:DB00443 "DrugBank" xref: KEGG DRUG:D00972 "KEGG DRUG" xref: ChemIDplus:151-73-5 "CAS Registry Number" is_a: CHEBI:38700 relationship: has_part CHEBI:68604 [Term] id: CHEBI:3542 name: cephalothin sodium def: "An organic sodium salt that has formula C16H15N2O6S2.Na." [] synonym: "Sodium cephalotin" RELATED [ChemIDplus:] synonym: "Cephalothin sodium" EXACT [KEGG COMPOUND:] synonym: "Cefalotin sodium" RELATED [KEGG COMPOUND:] synonym: "7-(Thiophene-2-acetamido)cephalosporanic acid sodium salt" RELATED [ChemIDplus:] synonym: "Sodium cefalotin" RELATED [ChemIDplus:] synonym: "Monosodium (6R,7R)-3-(hydroxymethyl)-8-oxo-7-(2-(2-thienyl)acetamido)-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylate acetate" RELATED [ChemIDplus:] synonym: "Cefalotina sodica" RELATED [ChemIDplus:] synonym: "sodium (6R,7R)-3-(acetoxymethyl)-8-oxo-7-[(2-thienylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate" EXACT IUPAC_NAME [IUPAC:] synonym: "Sodium cephalothin" RELATED [ChemIDplus:] synonym: "C16H15N2O6S2.Na" RELATED FORMULA [KEGG COMPOUND:] synonym: "[Na+].[H][C@@]1(NC(=O)Cc2cccs2)C(=O)N2C(C([O-])=O)=C(COC(C)=O)CS[C@]12[H]" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C16H16N2O6S2.Na/c1-8(19)24-6-9-7-26-15-12(14(21)18(15)13(9)16(22)23)17-11(20)5-10-3-2-4-25-10;/h2-4,12,15H,5-7H2,1H3,(H,17,20)(H,22,23);/q;+1/p-1/t12-,15-;/m1./s1" RELATED InChI [ChEBI:] synonym: "InChIKey=VUFGUVLLDPOSBC-XRZFDKQNSA-M" RELATED InChIKey [ChEBI:] xref: KEGG COMPOUND:C08100 "KEGG COMPOUND" xref: DrugBank:DB00456 "DrugBank" xref: Beilstein:4120707 "Beilstein Registry Number" xref: KEGG DRUG:D00907 "KEGG DRUG" xref: ChemIDplus:58-71-9 "CAS Registry Number" relationship: has_part CHEBI:124991 is_a: CHEBI:38700 [Term] id: CHEBI:36049 name: sodium arsanilate def: "An organoarsonic acid salt that has formula C6H7AsNNaO3." [] synonym: "arsanilic acid sodium salt" RELATED [ChemIDplus:] synonym: "Arsamin" RELATED [ChemIDplus:] synonym: "(4-aminophenyl)arsonic acid sodium salt" RELATED [ChemIDplus:] synonym: "sodium hydrogen (4-aminophenyl)arsonate" EXACT IUPAC_NAME [IUPAC:] synonym: "sodium p-aminophenylarsonate" RELATED [ChemIDplus:] synonym: "sodium anilarsonate" RELATED [ChemIDplus:] synonym: "sodium hydrogen 4-aminophenylarsonate" RELATED [ChemIDplus:] synonym: "Atoxyl" RELATED [ChemIDplus:] synonym: "monosodium (4-aminophenyl)arsonate" RELATED [ChemIDplus:] synonym: "sodium aminarsonate" RELATED [ChemIDplus:] synonym: "C6H7AsNNaO3" RELATED FORMULA [ChEBI:] synonym: "[Na+].Nc1ccc(cc1)[As](O)([O-])=O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C6H8AsNO3.Na/c8-6-3-1-5(2-4-6)7(9,10)11;/h1-4H,8H2,(H2,9,10,11);/q;+1/p-1" RELATED InChI [ChEBI:] synonym: "InChIKey=OUFRIWNNMFWZTM-UHFFFAOYSA-M" RELATED InChIKey [ChEBI:] xref: ChemIDplus:127-85-5 "CAS Registry Number" xref: Beilstein:5789398 "Beilstein Registry Number" relationship: has_part CHEBI:36048 relationship: has_role CHEBI:36051 is_a: CHEBI:50957 is_a: CHEBI:38700 [Term] id: CHEBI:7493 name: nedocromil sodium def: "An organic sodium salt that has formula C19H15NNa2O7." [] synonym: "disodium 9-ethyl-4,6-dioxo-10-propyl-6,9-dihydro-4H-pyrano[3,2-g]quinoline-2,8-dicarboxylate" EXACT IUPAC_NAME [IUPAC:] synonym: "C19H15NNa2O7" RELATED FORMULA [ChEBI:] synonym: "C19H15NO7.2Na" RELATED FORMULA [KEGG DRUG:] synonym: "[Na+].[Na+].CCCc1c2oc(cc(=O)c2cc2c1n(CC)c(cc2=O)C([O-])=O)C([O-])=O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C19H17NO7.2Na/c1-3-5-9-16-10(13(21)7-12(18(23)24)20(16)4-2)6-11-14(22)8-15(19(25)26)27-17(9)11;;/h6-8H,3-5H2,1-2H3,(H,23,24)(H,25,26);;/q;2*+1/p-2" RELATED InChI [ChEBI:] synonym: "InChIKey=JQEKDNLKIVGXAU-UHFFFAOYSA-L" RELATED InChIKey [ChEBI:] xref: KEGG DRUG:D00527 "KEGG DRUG" xref: DrugBank:DB00716 "DrugBank" xref: ChemIDplus:69049-74-7 "CAS Registry Number" xref: Beilstein:4836698 "Beilstein Registry Number" is_a: CHEBI:38700 relationship: has_part CHEBI:51029 [Term] id: CHEBI:51255 name: amoxicillin sodium def: "An organic sodium salt that has formula C16H18N3NaO5S." [] synonym: "sodium 6beta-[(2R)-2-amino-2-(4-hydroxyphenyl)acetamido]-2,2-dimethylpenam-3alpha-carboxylate" EXACT IUPAC_NAME [IUPAC:] synonym: "Ibiamox" RELATED BRAND_NAME [ChemIDplus:] synonym: "amoxicillin natrium" RELATED [ChemIDplus:] synonym: "C16H18N3NaO5S" RELATED FORMULA [ChEBI:] synonym: "[Na+].[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)[C@H](N)c1ccc(O)cc1)C([O-])=O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C16H19N3O5S.Na/c1-16(2)11(15(23)24)19-13(22)10(14(19)25-16)18-12(21)9(17)7-3-5-8(20)6-4-7;/h3-6,9-11,14,20H,17H2,1-2H3,(H,18,21)(H,23,24);/q;+1/p-1/t9-,10-,11+,14-;/m1./s1" RELATED InChI [ChEBI:] synonym: "InChIKey=BYHDFCISJXIVBV-YWUHCJSESA-M" RELATED InChIKey [ChEBI:] xref: ChemIDplus:34642-77-8 "CAS Registry Number" xref: Beilstein:6050145 "Beilstein Registry Number" is_a: CHEBI:38700 relationship: has_part CHEBI:51256 [Term] id: CHEBI:51357 name: cloxacillin sodium def: "An organic sodium salt that has formula C19H17ClN3NaO5S." [] synonym: "monosodium cloxacillin" RELATED [ChemIDplus:] synonym: "sodium 2,2-dimethyl-6beta-({[5-methyl-3-(2-chlorophenyl)isoxazol-4-yl]carbonyl}amino)penam-3alpha-carboxylate" EXACT IUPAC_NAME [IUPAC:] synonym: "cloxacillin sodium anhydrous" RELATED [ChemIDplus:] synonym: "3-o-chlorophenyl-5-methyl-4-isoxazolylpenicillin sodium" RELATED [ChemIDplus:] synonym: "C19H17ClN3NaO5S" RELATED FORMULA [ChEBI:] synonym: "[Na+].[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)c1c(C)onc1-c1ccccc1Cl)C([O-])=O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C19H18ClN3O5S.Na/c1-8-11(12(22-28-8)9-6-4-5-7-10(9)20)15(24)21-13-16(25)23-14(18(26)27)19(2,3)29-17(13)23;/h4-7,13-14,17H,1-3H3,(H,21,24)(H,26,27);/q;+1/p-1/t13-,14+,17-;/m1./s1" RELATED InChI [ChEBI:] synonym: "InChIKey=SCLZRKVZRBKZCR-SLINCCQESA-M" RELATED InChIKey [ChEBI:] xref: Beilstein:5403885 "Beilstein Registry Number" xref: ChemIDplus:642-78-4 "CAS Registry Number" is_a: CHEBI:38700 relationship: has_part CHEBI:51350 [Term] id: CHEBI:34978 name: cloxacillin sodium monohydrate def: "A hydrate that has formula C19H17ClN3O5S.Na.H2O." [] synonym: "Bactopen" RELATED BRAND_NAME [ChemIDplus:] synonym: "cloxacillin sodium hydrate" RELATED [KEGG DRUG:] synonym: "Sodium cloxacillin monohydrate" RELATED [KEGG COMPOUND:] synonym: "Cloxapen" RELATED BRAND_NAME [KEGG DRUG:] synonym: "sodium 2,2-dimethyl-6beta-({[5-methyl-3-(2-chlorophenyl)isoxazol-4-yl]carbonyl}amino)penam-3alpha-carboxylate hydrate" EXACT IUPAC_NAME [IUPAC:] synonym: "Tegopen" RELATED BRAND_NAME [KEGG DRUG:] synonym: "C19H17ClN3O5S.Na.H2O" RELATED FORMULA [KEGG COMPOUND:] synonym: "C19H19ClN3NaO6S" RELATED FORMULA [ChEBI:] synonym: "[Na+].[H]O[H].[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)c1c(C)onc1-c1ccccc1Cl)C([O-])=O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C19H18ClN3O5S.Na.H2O/c1-8-11(12(22-28-8)9-6-4-5-7-10(9)20)15(24)21-13-16(25)23-14(18(26)27)19(2,3)29-17(13)23;;/h4-7,13-14,17H,1-3H3,(H,21,24)(H,26,27);;1H2/q;+1;/p-1/t13-,14+,17-;;/m1../s1" RELATED InChI [ChEBI:] synonym: "InChIKey=KCUWTKOTPIUBRI-VICXVTCVSA-M" RELATED InChIKey [ChEBI:] xref: ChemIDplus:7081-44-9 "CAS Registry Number" xref: KEGG COMPOUND:C14010 "KEGG COMPOUND" xref: KEGG COMPOUND:7081-44-9 "CAS Registry Number" is_a: CHEBI:38700 relationship: has_part CHEBI:51357 is_a: CHEBI:35505 [Term] id: CHEBI:51697 name: apalcillin sodium def: "An organic sodium salt that has formula C25H22N5O6S.Na." [] synonym: "sodium 6beta-{(2R)-2-[(4-hydroxy-1,5-naphthyridin-3-yl)carboxamido]-2-phenylacetamido}-2,2-dimethylpenam-3alpha-carboxylate" EXACT IUPAC_NAME [IUPAC:] synonym: "Lumota" RELATED BRAND_NAME [ChemIDplus:] synonym: "PC 904" RELATED BRAND_NAME [ChemIDplus:] synonym: "apalcillin sodium salt" RELATED [ChemIDplus:] synonym: "apalcillin sodium" RELATED INN [ChemIDplus:] synonym: "C25H22N5O6S.Na" RELATED FORMULA [KEGG DRUG:] synonym: "C25H22N5NaO6S" RELATED FORMULA [ChEBI:] synonym: "[Na+].[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)[C@]([H])(NC(=O)c1cnc2cccnc2c1O)c1ccccc1)C([O-])=O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C25H23N5O6S.Na/c1-25(2)19(24(35)36)30-22(34)17(23(30)37-25)29-21(33)15(12-7-4-3-5-8-12)28-20(32)13-11-27-14-9-6-10-26-16(14)18(13)31;/h3-11,15,17,19,23H,1-2H3,(H,27,31)(H,28,32)(H,29,33)(H,35,36);/q;+1/p-1/t15-,17-,19+,23-;/m1./s1" RELATED InChI [ChEBI:] synonym: "InChIKey=DIGBQDMXLUJMHN-FSWJYKAZSA-M" RELATED InChIKey [ChEBI:] xref: KEGG DRUG:D02415 "KEGG DRUG" xref: Patent:US4005075 "Patent" xref: ChemIDplus:58795-03-2 "CAS Registry Number" is_a: CHEBI:38700 relationship: has_part CHEBI:51699 [Term] id: CHEBI:51761 name: azidocillin sodium def: "An organic sodium salt that has formula C16H16N5NaO4S." [] synonym: "azidocillin natrium" RELATED [ChemIDplus:] synonym: "Longatren" RELATED BRAND_NAME [ChemIDplus:] synonym: "Globacillin" RELATED BRAND_NAME [ChemIDplus:] synonym: "Nalpen" RELATED BRAND_NAME [ChemIDplus:] synonym: "sodium 2,2-dimethyl-6beta-[(2R)-2-azido-2-phenylacetamido]penam-3alpha-carboxylate" EXACT IUPAC_NAME [IUPAC:] synonym: "azidocillin sodium salt" RELATED [ChemIDplus:] synonym: "sodium (2S,5R,6R)-6-{[(2R)-2-azido-2-phenylacetyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate" RELATED [IUPAC:] synonym: "C16H16N5NaO4S" RELATED FORMULA [ChEBI:] synonym: "[Na+].[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)[C@H](N=[N+]=[N-])c1ccccc1)C([O-])=O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C16H17N5O4S.Na/c1-16(2)11(15(24)25)21-13(23)10(14(21)26-16)18-12(22)9(19-20-17)8-6-4-3-5-7-8;/h3-7,9-11,14H,1-2H3,(H,18,22)(H,24,25);/q;+1/p-1/t9-,10-,11+,14-;/m1./s1" RELATED InChI [ChEBI:] synonym: "InChIKey=DKUPMJBOYNDXNY-YWUHCJSESA-M" RELATED InChIKey [ChEBI:] xref: ChemIDplus:35334-12-4 "CAS Registry Number" is_a: CHEBI:38700 relationship: has_part CHEBI:51762 [Term] id: CHEBI:51765 name: benzylpenicillin sodium def: "An organic sodium salt that has formula C16H17N2NaO4S." [] synonym: "sodium benzylpenicillinate" RELATED [ChemIDplus:] synonym: "benzylpenicillin sodium salt" RELATED [ChemIDplus:] synonym: "monosodium benzylpenicillin" RELATED [ChemIDplus:] synonym: "sodium 2,2-dimethyl-6beta-(phenylacetamido)penam-3alpha-carboxylate" EXACT IUPAC_NAME [IUPAC:] synonym: "Crystapen" RELATED BRAND_NAME [ChemIDplus:] synonym: "benzylpenicillinic acid sodium salt" RELATED [ChemIDplus:] synonym: "American penicillin" RELATED [ChemIDplus:] synonym: "sodium penicillin G" RELATED [ChemIDplus:] synonym: "penicillin G sodium" RELATED [ChemIDplus:] synonym: "C16H17N2NaO4S" RELATED FORMULA [ChEBI:] synonym: "[Na+].[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)Cc1ccccc1)C([O-])=O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C16H18N2O4S.Na/c1-16(2)12(15(21)22)18-13(20)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9;/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22);/q;+1/p-1/t11-,12+,14-;/m1./s1" RELATED InChI [ChEBI:] synonym: "InChIKey=FCPVYOBCFFNJFS-LQDWTQKMSA-M" RELATED InChIKey [ChEBI:] xref: Beilstein:3834217 "Beilstein Registry Number" xref: ChemIDplus:69-57-8 "CAS Registry Number" is_a: CHEBI:38700 relationship: has_part CHEBI:51354 [Term] id: CHEBI:35017 name: ticarcillin disodium def: "An organic sodium salt that has formula C15H14N2Na2O6S2." [] synonym: "Ticar" RELATED BRAND_NAME [KEGG DRUG:] synonym: "Aerugipen" RELATED BRAND_NAME [KEGG COMPOUND:] synonym: "ticarcillin sodium" RELATED [KEGG DRUG:] synonym: "Ticarpen" RELATED BRAND_NAME [ChemIDplus:] synonym: "disodium (2S,5R,6R)-6-{[(2R)-2-carboxylato-2-thiophen-3-ylacetyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate" RELATED [IUPAC:] synonym: "Ticarcillin disodium" EXACT [KEGG COMPOUND:] synonym: "disodium 6beta-{[(2R)-2-carboxylato-2-thiophen-3-ylacetyl]amino}-2,2-dimethylpenam-3alpha-carboxylate" EXACT IUPAC_NAME [IUPAC:] synonym: "N-(2-carboxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)hept-6-yl)-3-thiophenemalonamic acid disodium salt" RELATED [ChemIDplus:] synonym: "C15H14N2Na2O6S2" RELATED FORMULA [ChEBI:] synonym: "C15H14N2O6S2.2Na" RELATED FORMULA [KEGG COMPOUND:] synonym: "[Na+].[Na+].[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)[C@]([H])(C([O-])=O)c1ccsc1)C([O-])=O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C15H16N2O6S2.2Na/c1-15(2)9(14(22)23)17-11(19)8(12(17)25-15)16-10(18)7(13(20)21)6-3-4-24-5-6;;/h3-5,7-9,12H,1-2H3,(H,16,18)(H,20,21)(H,22,23);;/q;2*+1/p-2/t7-,8-,9+,12-;;/m1../s1" RELATED InChI [ChEBI:] synonym: "InChIKey=ZBBCUBMBMZNEME-QBGWIPKPSA-L" RELATED InChIKey [ChEBI:] xref: KEGG DRUG:D02241 "KEGG DRUG" xref: KEGG COMPOUND:C14021 "KEGG COMPOUND" xref: ChemIDplus:4697-14-7 "CAS Registry Number" xref: Beilstein:5722397 "Beilstein Registry Number" xref: KEGG COMPOUND:4697-14-7 "CAS Registry Number" is_a: CHEBI:38700 relationship: has_part CHEBI:51811 [Term] id: CHEBI:51864 name: azlocillin sodium def: "An organic sodium salt that has formula C20H22N5NaO6S." [] synonym: "sodium (2S,5R,6R)-3,3-dimethyl-7-oxo-6-{[(2R)-2-{[(2-oxoimidazolidin-1-yl)carbonyl]amino}-2-phenylacetyl]amino}-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate" RELATED [IUPAC:] synonym: "sodium azlocillin" RELATED [ChemIDplus:] synonym: "sodium 2,2-dimethyl-6beta-[(2R)-2-{[(2-oxoimidazolidin-1-yl)carbonyl]amino}-2-phenylacetamido]penam-3alpha-carboxylate" EXACT IUPAC_NAME [IUPAC:] synonym: "monosodium azlocillin" RELATED [ChemIDplus:] synonym: "azlocillin sodium salt" RELATED [ChemIDplus:] synonym: "Azlin" RELATED BRAND_NAME [ChemIDplus:] synonym: "Securopen" RELATED BRAND_NAME [ChemIDplus:] synonym: "C20H22N5NaO6S" RELATED FORMULA [ChEBI:] synonym: "[Na+].[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)[C@]([H])(NC(=O)N1CCNC1=O)c1ccccc1)C([O-])=O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C20H23N5O6S.Na/c1-20(2)13(17(28)29)25-15(27)12(16(25)32-20)22-14(26)11(10-6-4-3-5-7-10)23-19(31)24-9-8-21-18(24)30;/h3-7,11-13,16H,8-9H2,1-2H3,(H,21,30)(H,22,26)(H,23,31)(H,28,29);/q;+1/p-1/t11-,12-,13+,16-;/m1./s1" RELATED InChI [ChEBI:] synonym: "InChIKey=UVOCNBWUHNCKJM-XFAPPKAWSA-M" RELATED InChIKey [ChEBI:] xref: ChemIDplus:37091-65-9 "CAS Registry Number" is_a: CHEBI:38700 relationship: has_part CHEBI:51863 [Term] id: CHEBI:34609 name: carbenicillin disodium def: "An organic sodium salt that has formula C17H16N2O6S.2Na." [] synonym: "Hyoper" RELATED BRAND_NAME [ChemIDplus:] synonym: "carbenicillin disodium salt" RELATED [ChemIDplus:] synonym: "Microcillin" RELATED BRAND_NAME [ChemIDplus:] synonym: "Geopen" RELATED BRAND_NAME [KEGG DRUG:] synonym: "disodium alpha-carboxybenzylpenicillin" RELATED [ChemIDplus:] synonym: "sodium carbenicillin" RELATED [ChemIDplus:] synonym: "Pyopen" RELATED BRAND_NAME [ChemIDplus:] synonym: "N-(2-carboxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)-hept-6-yl)-2-phenylmalonamic acid disodium salt" RELATED [ChemIDplus:] synonym: "alpha-carboxybenzylpenicillin disodium salt" RELATED [ChemIDplus:] synonym: "Carbenicillin sodium" RELATED [KEGG COMPOUND:] synonym: "Carbenicillin disodium" EXACT [KEGG COMPOUND:] synonym: "disodium 6beta-(2-carboxylato-2-phenylacetamido)-2,2-dimethylpenam-3alpha-carboxylate" EXACT IUPAC_NAME [IUPAC:] synonym: "disodium (2S,5R,6R)-6-{[carboxylato(phenyl)acetyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate" RELATED [IUPAC:] synonym: "Carbecin" RELATED BRAND_NAME [ChemIDplus:] synonym: "Pyocianil" RELATED BRAND_NAME [ChemIDplus:] synonym: "disodium carbenicillin" RELATED [ChemIDplus:] synonym: "alpha-carboxybenzylpenicillin sodium salt" RELATED [ChemIDplus:] synonym: "C17H16N2O6S.2Na" RELATED FORMULA [KEGG COMPOUND:] synonym: "C17H16N2Na2O6S" RELATED FORMULA [ChEBI:] synonym: "[Na+].[Na+].[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)C(C([O-])=O)c1ccccc1)C([O-])=O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C17H18N2O6S.2Na/c1-17(2)11(16(24)25)19-13(21)10(14(19)26-17)18-12(20)9(15(22)23)8-6-4-3-5-7-8;;/h3-7,9-11,14H,1-2H3,(H,18,20)(H,22,23)(H,24,25);;/q;2*+1/p-2/t9?,10-,11+,14-;;/m1../s1" RELATED InChI [ChEBI:] synonym: "InChIKey=RTYJTGSCYUUYAL-YCAHSCEMSA-L" RELATED InChIKey [ChEBI:] xref: KEGG COMPOUND:4800-94-6 "CAS Registry Number" xref: KEGG COMPOUND:C13967 "KEGG COMPOUND" xref: Beilstein:5401480 "Beilstein Registry Number" xref: ChemIDplus:4800-94-6 "CAS Registry Number" xref: KEGG DRUG:D02190 "KEGG DRUG" is_a: CHEBI:38700 relationship: has_part CHEBI:51897 [Term] id: CHEBI:34612 name: carfecillin sodium def: "An organic sodium salt that has formula C23H21N2NaO6S." [] synonym: "Carfecillin sodium" EXACT [KEGG COMPOUND:] synonym: "carfecilina sodica" RELATED [ChemIDplus:] synonym: "sodium (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(3-oxo-3-phenoxy-2-phenylpropanoyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate" RELATED [IUPAC:] synonym: "Carbenicillin phenyl sodium" RELATED [KEGG COMPOUND:] synonym: "sodium 2,2-dimethyl-6beta-[(3-oxo-3-phenoxy-2-phenylpropanoyl)amino]penam-3alpha-carboxylate" EXACT IUPAC_NAME [IUPAC:] synonym: "C23H21N2NaO6S" RELATED FORMULA [ChEBI:] synonym: "C23H21N2O6S.Na" RELATED FORMULA [KEGG COMPOUND:] synonym: "[Na+].[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)C(C(=O)Oc1ccccc1)c1ccccc1)C([O-])=O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C23H22N2O6S.Na/c1-23(2)17(21(28)29)25-19(27)16(20(25)32-23)24-18(26)15(13-9-5-3-6-10-13)22(30)31-14-11-7-4-8-12-14;/h3-12,15-17,20H,1-2H3,(H,24,26)(H,28,29);/q;+1/p-1/t15?,16-,17+,20-;/m1./s1" RELATED InChI [ChEBI:] synonym: "InChIKey=JXSBZDNBNJTHBJ-JPZUGYNPSA-M" RELATED InChIKey [ChEBI:] xref: KEGG DRUG:D02199 "KEGG DRUG" xref: Beilstein:5403883 "Beilstein Registry Number" xref: ChemIDplus:21649-57-0 "CAS Registry Number" xref: KEGG COMPOUND:21649-57-0 "CAS Registry Number" xref: KEGG COMPOUND:C13976 "KEGG COMPOUND" is_a: CHEBI:38700 relationship: has_part CHEBI:51906 [Term] id: CHEBI:7448 name: nafcillin sodium def: "An organic sodium salt that has formula C21H21N2NaO5S." [] synonym: "Nafcillin sodium" EXACT [KEGG COMPOUND:] synonym: "sodium 6beta-(2-ethoxynaphthalene-1-carboxamido)-2,2-dimethylpenam-3alpha-carboxylate" EXACT IUPAC_NAME [IUPAC:] synonym: "sodium (2S,5R,6R)-6-{[(2-ethoxynaphthalen-1-yl)carbonyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate" RELATED [IUPAC:] synonym: "nafcillin sodium anhydrous" RELATED [ChemIDplus:] synonym: "6-(2-ethoxy-1-naphthamido)penicillin sodium" RELATED [ChemIDplus:] synonym: "C21H21N2NaO5S" RELATED FORMULA [ChEBI:] synonym: "C21H21N2O5S.Na" RELATED FORMULA [KEGG COMPOUND:] synonym: "[Na+].[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)c1c(OCC)ccc2ccccc12)C([O-])=O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C21H22N2O5S.Na/c1-4-28-13-10-9-11-7-5-6-8-12(11)14(13)17(24)22-15-18(25)23-16(20(26)27)21(2,3)29-19(15)23;/h5-10,15-16,19H,4H2,1-3H3,(H,22,24)(H,26,27);/q;+1/p-1/t15-,16+,19-;/m1./s1" RELATED InChI [ChEBI:] synonym: "InChIKey=AYAPZOUDXCDGIF-FRFVDRIFSA-M" RELATED InChIKey [ChEBI:] xref: KEGG COMPOUND:985-16-0 "CAS Registry Number" xref: ChemIDplus:985-16-0 "CAS Registry Number" xref: KEGG COMPOUND:C08124 "KEGG COMPOUND" xref: DrugBank:DB00607 "DrugBank" xref: Beilstein:4287293 "Beilstein Registry Number" is_a: CHEBI:38700 relationship: has_part CHEBI:51918 [Term] id: CHEBI:51919 name: nafcillin sodium monohydrate def: "A hydrate that has formula C21H23N2NaO6S." [] synonym: "nafcillin sodium hydrate" RELATED [ChemIDplus:] synonym: "sodium 6beta-[(2-ethoxy-1-naphthoyl)amino]-2,2-dimethylpenam-3alpha-carboxylate hydrate" EXACT IUPAC_NAME [IUPAC:] synonym: "Unipen" RELATED BRAND_NAME [ChemIDplus:] synonym: "Nallpen" RELATED BRAND_NAME [ChemIDplus:] synonym: "Nafcil" RELATED BRAND_NAME [ChemIDplus:] synonym: "sodium (2S,5R,6R)-6-{[(2-ethoxynaphthalen-1-yl)carbonyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate hydrate" RELATED [IUPAC:] synonym: "monohydrate of sodium salt of 6-(2-ethoxy-1-naphthamido)penicillanic acid" RELATED [Patent:] synonym: "Wy 3277" RELATED [ChemIDplus:] synonym: "C21H23N2NaO6S" RELATED FORMULA [ChEBI:] synonym: "[Na+].[H]O[H].[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)c1c(OCC)ccc2ccccc12)C([O-])=O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C21H22N2O5S.Na.H2O/c1-4-28-13-10-9-11-7-5-6-8-12(11)14(13)17(24)22-15-18(25)23-16(20(26)27)21(2,3)29-19(15)23;;/h5-10,15-16,19H,4H2,1-3H3,(H,22,24)(H,26,27);;1H2/q;+1;/p-1/t15-,16+,19-;;/m1../s1" RELATED InChI [ChEBI:] synonym: "InChIKey=OCXSDHJRMYFTMA-KMFBOIRUSA-M" RELATED InChIKey [ChEBI:] xref: Beilstein:11001487 "Beilstein Registry Number" xref: ChemIDplus:7177-50-6 "CAS Registry Number" xref: Patent:US3506645 "Patent" is_a: CHEBI:38700 is_a: CHEBI:35505 relationship: has_part CHEBI:7448 [Term] id: CHEBI:51946 name: DY-631 def: "An organic sodium salt that has formula C36H45N2NaO9S2." [] synonym: "sodium 2-{3-[2-tert-butyl-7-(diethylamino)-4H-chromen-4-ylidene]prop-1-en-1-yl}-3-(3-carboxypropyl)-3-methyl-1-(3-sulfonatopropyl)-3H-indolium-5-sulfonate" EXACT IUPAC_NAME [IUPAC:] synonym: "sodium 2-{3-[2-tert-butyl-7-(diethylamino)chromenium-4-yl]prop-2-en-1-ylidene}-3-(3-carboxypropyl)-3-methyl-1-(3-sulfonatopropyl)indoline-5-sulfonate" EXACT IUPAC_NAME [IUPAC:] synonym: "C36H45N2NaO9S2" RELATED FORMULA [ChEBI:] synonym: "[Na+].[H]C(=C([H])c1cc([o+]c2cc(ccc12)N(CC)CC)C(C)(C)C)C([H])=C1N(CCCS([O-])(=O)=O)c2ccc(cc2C1(C)CCCC(O)=O)S([O-])(=O)=O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C36H46N2O9S2.Na/c1-7-37(8-2)26-15-17-28-25(22-33(35(3,4)5)47-31(28)23-26)12-9-13-32-36(6,19-10-14-34(39)40)29-24-27(49(44,45)46)16-18-30(29)38(32)20-11-21-48(41,42)43;/h9,12-13,15-18,22-24H,7-8,10-11,14,19-21H2,1-6H3,(H2-,39,40,41,42,43,44,45,46);/q;+1/p-1" RELATED InChI [ChEBI:] synonym: "InChIKey=WWLKNTWBUFTHKD-UHFFFAOYSA-M" RELATED InChIKey [ChEBI:] is_a: CHEBI:38700 relationship: has_role CHEBI:51217 relationship: has_part CHEBI:52821 [Term] id: CHEBI:51947 name: DY-632 def: "An organic disodium salt having 2-(3-{2-tert-butyl-7-[ethyl(3-sulfonatopropyl)amino]chromenium-4-yl}prop-2-en-1-ylidene)-3-(3-carboxypropyl)-3-methyl-1-(3-sulfonatopropyl)indoline-5-sulfonate as the counterion." [] synonym: "disodium 2-(3-{2-tert-butyl-7-[ethyl(3-sulfonatopropyl)amino]chromenium-4-yl}prop-2-en-1-ylidene)-3-(3-carboxypropyl)-3-methyl-1-(3-sulfonatopropyl)indoline-5-sulfonate" EXACT IUPAC_NAME [IUPAC:] synonym: "C37H46N2Na2O12S3" RELATED FORMULA [ChEBI:] synonym: "[Na+].[Na+].[H]C(=C([H])c1cc([o+]c2cc(ccc12)N(CC)CCCS([O-])(=O)=O)C(C)(C)C)C([H])=C1N(CCCS([O-])(=O)=O)c2ccc(cc2C1(C)CCCC(O)=O)S([O-])(=O)=O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C37H48N2O12S3.2Na/c1-6-38(19-9-21-52(42,43)44)27-14-16-29-26(23-34(36(2,3)4)51-32(29)24-27)11-7-12-33-37(5,18-8-13-35(40)41)30-25-28(54(48,49)50)15-17-31(30)39(33)20-10-22-53(45,46)47;;/h7,11-12,14-17,23-25H,6,8-10,13,18-22H2,1-5H3,(H3-,40,41,42,43,44,45,46,47,48,49,50);;/q;2*+1/p-2" RELATED InChI [ChEBI:] synonym: "InChIKey=UAKBMOJQSQAOJF-UHFFFAOYSA-L" RELATED InChIKey [ChEBI:] is_a: CHEBI:38700 relationship: has_role CHEBI:51217 relationship: has_part CHEBI:63291 [Term] id: CHEBI:51948 name: DY-633 def: "An organic sodium salt that has formula C37H47N2NaO9S2." [] synonym: "sodium 2-(3-{2-tert-butyl-7-[ethyl(3-sulfonatopropyl)amino]chromenium-4-yl}prop-2-en-1-ylidene)-1-(5-carboxypentyl)-3,3-dimethylindoline-5-sulfonate" EXACT IUPAC_NAME [IUPAC:] synonym: "sodium 2-[3-{2-tert-butyl-7-[ethyl(3-sulfonatopropyl)amino]-4H-chromen-4-ylidene}prop-1-en-1-yl]-1-(5-carboxypentyl)-3,3-dimethyl-3H-indolium-5-sulfonate" EXACT IUPAC_NAME [IUPAC:] synonym: "C37H47N2NaO9S2" RELATED FORMULA [ChEBI:] synonym: "[Na+].[H]C(=C([H])c1cc([o+]c2cc(ccc12)N(CC)CCCS([O-])(=O)=O)C(C)(C)C)C([H])=C1N(CCCCCC(O)=O)c2ccc(cc2C1(C)C)S([O-])(=O)=O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C37H48N2O9S2.Na/c1-7-38(20-12-22-49(42,43)44)27-16-18-29-26(23-34(36(2,3)4)48-32(29)24-27)13-11-14-33-37(5,6)30-25-28(50(45,46)47)17-19-31(30)39(33)21-10-8-9-15-35(40)41;/h11,13-14,16-19,23-25H,7-10,12,15,20-22H2,1-6H3,(H2-,40,41,42,43,44,45,46,47);/q;+1/p-1" RELATED InChI [ChEBI:] synonym: "InChIKey=ZZWICMHALHDPGS-UHFFFAOYSA-M" RELATED InChIKey [ChEBI:] is_a: CHEBI:38700 relationship: has_role CHEBI:51217 relationship: has_part CHEBI:52822 [Term] id: CHEBI:51949 name: DY-634 def: "An organic trisodium salt having 2-(3-{7-[bis(3-sulfonatopropyl)amino]-2-tert-butylchromenium-4-yl}prop-2-en-1-ylidene)-1-(3-carboxypropyl)-3-methyl-3-(3-sulfonatopropyl)indoline-5-sulfonate as the counterion." [] synonym: "trisodium 2-(3-{7-[bis(3-sulfonatopropyl)amino]-2-tert-butylchromenium-4-yl}prop-2-en-1-ylidene)-1-(3-carboxypropyl)-3-methyl-3-(3-sulfonatopropyl)indoline-5-sulfonate" EXACT IUPAC_NAME [IUPAC:] synonym: "C38H47N2Na3O15S4" RELATED FORMULA [ChEBI:] synonym: "[Na+].[Na+].[Na+].[H]C(=C([H])c1cc([o+]c2cc(ccc12)N(CCCS([O-])(=O)=O)CCCS([O-])(=O)=O)C(C)(C)C)C([H])=C1N(CCCC(O)=O)c2ccc(cc2C1(C)CCCS([O-])(=O)=O)S([O-])(=O)=O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C38H50N2O15S4.3Na/c1-37(2,3)35-24-27(30-15-13-28(25-33(30)55-35)39(18-8-22-57(46,47)48)19-9-23-58(49,50)51)10-5-11-34-38(4,17-7-21-56(43,44)45)31-26-29(59(52,53)54)14-16-32(31)40(34)20-6-12-36(41)42;;;/h5,10-11,13-16,24-26H,6-9,12,17-23H2,1-4H3,(H4-,41,42,43,44,45,46,47,48,49,50,51,52,53,54);;;/q;3*+1/p-3" RELATED InChI [ChEBI:] synonym: "InChIKey=ZIBLTIZVAOHTDS-UHFFFAOYSA-K" RELATED InChIKey [ChEBI:] is_a: CHEBI:38700 relationship: has_role CHEBI:51217 relationship: has_part CHEBI:63292 [Term] id: CHEBI:51952 name: DY-636 def: "An organic sodium salt that has formula C38H45N2NaO9S2." [] synonym: "sodium 2-[3-(11-tert-butyl-2,3,6,7-tetrahydro-1H,5H-pyrano[2,3-f]pyrido[3,2,1-ij]quinolin-12-ium-9-yl)prop-2-en-1-ylidene]-3-(3-carboxypropyl)-3-methyl-1-(3-sulfonatopropyl)indoline-5-sulfonate" EXACT IUPAC_NAME [IUPAC:] synonym: "C38H45N2NaO9S2" RELATED FORMULA [ChEBI:] synonym: "[Na+].[H]C(=C([H])c1cc([o+]c2c3CCCN4CCCc(cc12)c34)C(C)(C)C)C([H])=C1N(CCCS([O-])(=O)=O)c2ccc(cc2C1(C)CCCC(O)=O)S([O-])(=O)=O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C38H46N2O9S2.Na/c1-37(2,3)33-23-25(29-22-26-11-7-18-39-19-8-12-28(35(26)39)36(29)49-33)10-5-13-32-38(4,17-6-14-34(41)42)30-24-27(51(46,47)48)15-16-31(30)40(32)20-9-21-50(43,44)45;/h5,10,13,15-16,22-24H,6-9,11-12,14,17-21H2,1-4H3,(H2-,41,42,43,44,45,46,47,48);/q;+1/p-1" RELATED InChI [ChEBI:] synonym: "InChIKey=SJHLXOGLOWIVBY-UHFFFAOYSA-M" RELATED InChIKey [ChEBI:] is_a: CHEBI:38700 relationship: has_role CHEBI:51217 relationship: has_part CHEBI:52823 [Term] id: CHEBI:51957 name: DY-652 def: "An organic disodium salt having 2-{3-[2-tert-butyl-6,8,8-trimethyl-9-(3-sulfonatopropyl)-8,9-dihydropyrano[3,2-g]quinolin-1-ium-4-yl]prop-2-en-1-ylidene}-3-(3-carboxypropyl)-3-methyl-1-(3-sulfonatopropyl)indoline-5-sulfonate as the counterion." [] synonym: "disodium 2-{3-[2-tert-butyl-6,8,8-trimethyl-9-(3-sulfonatopropyl)-8,9-dihydropyrano[3,2-g]quinolin-1-ium-4-yl]prop-2-en-1-ylidene}-3-(3-carboxypropyl)-3-methyl-1-(3-sulfonatopropyl)indoline-5-sulfonate" EXACT IUPAC_NAME [IUPAC:] synonym: "C41H50N2Na2O12S3" RELATED FORMULA [ChEBI:] synonym: "[Na+].[Na+].[H]C(=C([H])c1cc([o+]c2cc3N(CCCS([O-])(=O)=O)C(C)(C)C=C(C)c3cc12)C(C)(C)C)C([H])=C1N(CCCS([O-])(=O)=O)c2ccc(cc2C1(C)CCCC(O)=O)S([O-])(=O)=O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C41H52N2O12S3.2Na/c1-27-26-40(5,6)43(19-11-21-57(49,50)51)34-25-35-31(24-30(27)34)28(22-37(55-35)39(2,3)4)12-8-13-36-41(7,17-9-14-38(44)45)32-23-29(58(52,53)54)15-16-33(32)42(36)18-10-20-56(46,47)48;;/h8,12-13,15-16,22-26H,9-11,14,17-21H2,1-7H3,(H3-,44,45,46,47,48,49,50,51,52,53,54);;/q;2*+1/p-2" RELATED InChI [ChEBI:] synonym: "InChIKey=ZTDAPASWUWUEOE-UHFFFAOYSA-L" RELATED InChIKey [ChEBI:] relationship: has_role CHEBI:51217 is_a: CHEBI:38700 relationship: has_part CHEBI:63293 [Term] id: CHEBI:51966 name: DY-676 def: "An organic sodium salt that has formula C42H45N2NaO9S2." [] synonym: "sodium 3-(3-carboxypropyl)-2-[3-(9-ethyl-6,8,8-trimethyl-2-phenyl-8,9-dihydropyrano[3,2-g]quinolin-1-ium-4-yl)prop-2-en-1-ylidene]-3-methyl-1-(3-sulfonatopropyl)indoline-5-sulfonate" EXACT IUPAC_NAME [IUPAC:] synonym: "C42H45N2NaO9S2" RELATED FORMULA [ChEBI:] synonym: "[Na+].[H]C(=C([H])c1cc([o+]c2cc3N(CC)C(C)(C)C=C(C)c3cc12)-c1ccccc1)C([H])=C1N(CCCS([O-])(=O)=O)c2ccc(cc2C1(C)CCCC(O)=O)S([O-])(=O)=O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C42H46N2O9S2.Na/c1-6-44-36-26-38-33(25-32(36)28(2)27-41(44,3)4)30(23-37(53-38)29-13-8-7-9-14-29)15-10-16-39-42(5,20-11-17-40(45)46)34-24-31(55(50,51)52)18-19-35(34)43(39)21-12-22-54(47,48)49;/h7-10,13-16,18-19,23-27H,6,11-12,17,20-22H2,1-5H3,(H2-,45,46,47,48,49,50,51,52);/q;+1/p-1" RELATED InChI [ChEBI:] synonym: "InChIKey=WEZOMSPPHBSBEB-UHFFFAOYSA-M" RELATED InChIKey [ChEBI:] is_a: CHEBI:38700 relationship: has_role CHEBI:51217 relationship: has_part CHEBI:52825 [Term] id: CHEBI:51968 name: DY-677 def: "An organic disodium salt having 3-(3-carboxypropyl)-3-methyl-1-(3-sulfonatopropyl)-2-{3-[6,8,8-trimethyl-2-phenyl-9-(3-sulfonatopropyl)-8,9-dihydropyrano[3,2-g]quinolin-1-ium-4-yl]prop-2-en-1-ylidene}indoline-5-sulfonate as the counterion." [] synonym: "disodium 3-(3-carboxypropyl)-3-methyl-1-(3-sulfonatopropyl)-2-{3-[6,8,8-trimethyl-2-phenyl-9-(3-sulfonatopropyl)-8,9-dihydropyrano[3,2-g]quinolin-1-ium-4-yl]prop-2-en-1-ylidene}indoline-5-sulfonate" EXACT IUPAC_NAME [IUPAC:] synonym: "C43H46N2Na2O12S3" RELATED FORMULA [ChEBI:] synonym: "[Na+].[Na+].[H]C(=C([H])c1cc([o+]c2cc3N(CCCS([O-])(=O)=O)C(C)(C)C=C(C)c3cc12)-c1ccccc1)C([H])=C1N(CCCS([O-])(=O)=O)c2ccc(cc2C1(C)CCCC(O)=O)S([O-])(=O)=O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C43H48N2O12S3.2Na/c1-29-28-42(2,3)45(21-11-23-59(51,52)53)37-27-39-34(26-33(29)37)31(24-38(57-39)30-12-6-5-7-13-30)14-8-15-40-43(4,19-9-16-41(46)47)35-25-32(60(54,55)56)17-18-36(35)44(40)20-10-22-58(48,49)50;;/h5-8,12-15,17-18,24-28H,9-11,16,19-23H2,1-4H3,(H3-,46,47,48,49,50,51,52,53,54,55,56);;/q;2*+1/p-2" RELATED InChI [ChEBI:] synonym: "InChIKey=RTIKQAMRCSZEHP-UHFFFAOYSA-L" RELATED InChIKey [ChEBI:] is_a: CHEBI:38700 relationship: has_role CHEBI:51217 relationship: has_part CHEBI:63294 [Term] id: CHEBI:51969 name: DY-678 def: "An organic trisodium salt having 3-(3-carboxypropyl)-2-{3-[8,8-dimethyl-2-phenyl-6-(sulfonatomethyl)-9-(3-sulfonatopropyl)-8,9-dihydropyrano[3,2-g]quinolin-1-ium-4-yl]prop-2-en-1-ylidene}-3-methyl-1-(3-sulfonatopropyl)indoline-5-sulfonate as the counterion." [] synonym: "trisodium 3-(3-carboxypropyl)-2-{3-[8,8-dimethyl-2-phenyl-6-(sulfonatomethyl)-9-(3-sulfonatopropyl)-8,9-dihydropyrano[3,2-g]quinolin-1-ium-4-yl]prop-2-en-1-ylidene}-3-methyl-1-(3-sulfonatopropyl)indoline-5-sulfonate" EXACT IUPAC_NAME [IUPAC:] synonym: "C43H45N2Na3O15S4" RELATED FORMULA [ChEBI:] synonym: "[Na+].[Na+].[Na+].[H]C(=C([H])c1cc([o+]c2cc3N(CCCS([O-])(=O)=O)C(C)(C)C=C(CS([O-])(=O)=O)c3cc12)-c1ccccc1)C([H])=C1N(CCCS([O-])(=O)=O)c2ccc(cc2C1(C)CCCC(O)=O)S([O-])(=O)=O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C43H48N2O15S4.3Na/c1-42(2)27-31(28-63(54,55)56)33-25-34-30(23-38(29-11-5-4-6-12-29)60-39(34)26-37(33)45(42)20-10-22-62(51,52)53)13-7-14-40-43(3,18-8-15-41(46)47)35-24-32(64(57,58)59)16-17-36(35)44(40)19-9-21-61(48,49)50;;;/h4-7,11-14,16-17,23-27H,8-10,15,18-22,28H2,1-3H3,(H4-,46,47,48,49,50,51,52,53,54,55,56,57,58,59);;;/q;3*+1/p-3" RELATED InChI [ChEBI:] synonym: "InChIKey=CGUPDXLATUWRRL-UHFFFAOYSA-K" RELATED InChIKey [ChEBI:] is_a: CHEBI:38700 relationship: has_role CHEBI:51217 relationship: has_part CHEBI:63295 [Term] id: CHEBI:51974 name: DY-681 def: "An organic sodium salt that has formula C36H45N2NaO9S2." [] synonym: "sodium 2-{3-[4-tert-butyl-7-(diethylamino)chromenium-2-yl]prop-2-en-1-ylidene}-3-(3-carboxypropyl)-3-methyl-1-(3-sulfonatopropyl)indoline-5-sulfonate" EXACT IUPAC_NAME [IUPAC:] synonym: "sodium 2-{3-[4-tert-butyl-7-(diethylamino)-2H-chromen-2-ylidene]prop-1-en-1-yl}-3-(3-carboxypropyl)-3-methyl-1-(3-sulfonatopropyl)-3H-indolium-5-sulfonate" EXACT IUPAC_NAME [IUPAC:] synonym: "C36H45N2NaO9S2" RELATED FORMULA [ChEBI:] synonym: "[Na+].[H]C(=C([H])c1cc(c2ccc(cc2[o+]1)N(CC)CC)C(C)(C)C)C([H])=C1N(CCCS([O-])(=O)=O)c2ccc(cc2C1(C)CCCC(O)=O)S([O-])(=O)=O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C36H46N2O9S2.Na/c1-7-37(8-2)25-15-17-28-29(35(3,4)5)23-26(47-32(28)22-25)12-9-13-33-36(6,19-10-14-34(39)40)30-24-27(49(44,45)46)16-18-31(30)38(33)20-11-21-48(41,42)43;/h9,12-13,15-18,22-24H,7-8,10-11,14,19-21H2,1-6H3,(H2-,39,40,41,42,43,44,45,46);/q;+1/p-1" RELATED InChI [ChEBI:] synonym: "InChIKey=XWSCEJVWSMFZTI-UHFFFAOYSA-M" RELATED InChIKey [ChEBI:] is_a: CHEBI:38700 relationship: has_role CHEBI:51217 relationship: has_part CHEBI:52827 [Term] id: CHEBI:51975 name: DY-682 def: "An organic trisodium salt having 2-(3-{4-tert-butyl-7-[ethyl(3-sulfonatopropyl)amino]chromenium-2-yl}prop-2-en-1-ylidene)-3-(3-carboxypropyl)-3-methyl-1-(3-sulfonatopropyl)indoline-5-sulfonate as the counterion." [] synonym: "disodium 2-(3-{4-tert-butyl-7-[ethyl(3-sulfonatopropyl)amino]chromenium-2-yl}prop-2-en-1-ylidene)-3-(3-carboxypropyl)-3-methyl-1-(3-sulfonatopropyl)indoline-5-sulfonate" EXACT IUPAC_NAME [IUPAC:] synonym: "C37H46N2Na2O12S3" RELATED FORMULA [ChEBI:] synonym: "[Na+].[Na+].[H]C(=C([H])c1cc(c2ccc(cc2[o+]1)N(CC)CCCS([O-])(=O)=O)C(C)(C)C)C([H])=C1N(CCCS([O-])(=O)=O)c2ccc(cc2C1(C)CCCC(O)=O)S([O-])(=O)=O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C37H48N2O12S3.2Na/c1-6-38(19-9-21-52(42,43)44)26-14-16-29-30(36(2,3)4)24-27(51-33(29)23-26)11-7-12-34-37(5,18-8-13-35(40)41)31-25-28(54(48,49)50)15-17-32(31)39(34)20-10-22-53(45,46)47;;/h7,11-12,14-17,23-25H,6,8-10,13,18-22H2,1-5H3,(H3-,40,41,42,43,44,45,46,47,48,49,50);;/q;2*+1/p-2" RELATED InChI [ChEBI:] synonym: "InChIKey=BHIZAGSEYSMDSQ-UHFFFAOYSA-L" RELATED InChIKey [ChEBI:] is_a: CHEBI:38700 relationship: has_role CHEBI:51217 is_a: CHEBI:63296 [Term] id: CHEBI:51977 name: DY-701 def: "An organic sodium salt that has formula C39H43N2NaO9S2." [] synonym: "sodium 3-(3-carboxypropyl)-2-{3-[7-(diethylamino)-3-methyl-4-phenylchromenium-2-yl]prop-2-en-1-ylidene}-3-methyl-1-(3-sulfonatopropyl)indoline-5-sulfonate" EXACT IUPAC_NAME [IUPAC:] synonym: "sodium 3-(3-carboxypropyl)-2-{3-[7-(diethylamino)-3-methyl-4-phenyl-2H-chromen-2-ylidene]prop-1-en-1-yl}-3-methyl-1-(3-sulfonatopropyl)-3H-indolium-5-sulfonate" EXACT IUPAC_NAME [IUPAC:] synonym: "C39H43N2NaO9S2" RELATED FORMULA [ChEBI:] synonym: "[Na+].[H]C(=C([H])c1[o+]c2cc(ccc2c(-c2ccccc2)c1C)N(CC)CC)C([H])=C1N(CCCS([O-])(=O)=O)c2ccc(cc2C1(C)CCCC(O)=O)S([O-])(=O)=O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C39H44N2O9S2.Na/c1-5-40(6-2)29-18-20-31-35(25-29)50-34(27(3)38(31)28-13-8-7-9-14-28)15-10-16-36-39(4,22-11-17-37(42)43)32-26-30(52(47,48)49)19-21-33(32)41(36)23-12-24-51(44,45)46;/h7-10,13-16,18-21,25-26H,5-6,11-12,17,22-24H2,1-4H3,(H2-,42,43,44,45,46,47,48,49);/q;+1/p-1" RELATED InChI [ChEBI:] synonym: "InChIKey=CCVDGRFGYDJCNB-UHFFFAOYSA-M" RELATED InChIKey [ChEBI:] is_a: CHEBI:38700 relationship: has_role CHEBI:51217 relationship: has_part CHEBI:52830 [Term] id: CHEBI:51980 name: DY-731 def: "An organic sodium salt that has formula C38H47N2NaO9S2." [] synonym: "sodium 2-{5-[2-tert-butyl-7-(diethylamino)-4H-chromen-4-ylidene]penta-1,3-dien-1-yl}-3-(3-carboxypropyl)-3-methyl-1-(3-sulfonatopropyl)-3H-indolium-5-sulfonate" EXACT IUPAC_NAME [IUPAC:] synonym: "sodium 2-{5-[2-tert-butyl-7-(diethylamino)chromenium-4-yl]penta-2,4-dien-1-ylidene}-3-(3-carboxypropyl)-3-methyl-1-(3-sulfonatopropyl)indoline-5-sulfonate" EXACT IUPAC_NAME [IUPAC:] synonym: "C38H47N2NaO9S2" RELATED FORMULA [ChEBI:] synonym: "[Na+].[H]C(=C([H])C([H])=C1N(CCCS([O-])(=O)=O)c2ccc(cc2C1(C)CCCC(O)=O)S([O-])(=O)=O)C([H])=C([H])c1cc([o+]c2cc(ccc12)N(CC)CC)C(C)(C)C" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C38H48N2O9S2.Na/c1-7-39(8-2)28-17-19-30-27(24-35(37(3,4)5)49-33(30)25-28)14-10-9-11-15-34-38(6,21-12-16-36(41)42)31-26-29(51(46,47)48)18-20-32(31)40(34)22-13-23-50(43,44)45;/h9-11,14-15,17-20,24-26H,7-8,12-13,16,21-23H2,1-6H3,(H2-,41,42,43,44,45,46,47,48);/q;+1/p-1" RELATED InChI [ChEBI:] synonym: "InChIKey=AUDFAQMTDONOOB-UHFFFAOYSA-M" RELATED InChIKey [ChEBI:] is_a: CHEBI:38700 relationship: has_role CHEBI:51217 relationship: has_part CHEBI:52833 [Term] id: CHEBI:51981 name: DY-732 def: "An organic disodium salt having 2-(5-{2-tert-butyl-7-[ethyl(3-sulfonatopropyl)amino]chromenium-4-yl}penta-2,4-dien-1-ylidene)-3-(3-carboxypropyl)-3-methyl-1-(3-sulfonatopropyl)indoline-5-sulfonate as the counterion." [] synonym: "disodium 2-(5-{2-tert-butyl-7-[ethyl(3-sulfonatopropyl)amino]chromenium-4-yl}penta-2,4-dien-1-ylidene)-3-(3-carboxypropyl)-3-methyl-1-(3-sulfonatopropyl)indoline-5-sulfonate" EXACT IUPAC_NAME [IUPAC:] synonym: "C39H48N2Na2O12S3" RELATED FORMULA [ChEBI:] synonym: "[Na+].[Na+].[H]C(=C([H])C([H])=C1N(CCCS([O-])(=O)=O)c2ccc(cc2C1(C)CCCC(O)=O)S([O-])(=O)=O)C([H])=C([H])c1cc([o+]c2cc(ccc12)N(CC)CCCS([O-])(=O)=O)C(C)(C)C" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C39H50N2O12S3.2Na/c1-6-40(21-11-23-54(44,45)46)29-16-18-31-28(25-36(38(2,3)4)53-34(31)26-29)13-8-7-9-14-35-39(5,20-10-15-37(42)43)32-27-30(56(50,51)52)17-19-33(32)41(35)22-12-24-55(47,48)49;;/h7-9,13-14,16-19,25-27H,6,10-12,15,20-24H2,1-5H3,(H3-,42,43,44,45,46,47,48,49,50,51,52);;/q;2*+1/p-2" RELATED InChI [ChEBI:] synonym: "InChIKey=FFDQNEOZIUXQBT-UHFFFAOYSA-L" RELATED InChIKey [ChEBI:] is_a: CHEBI:38700 relationship: has_role CHEBI:51217 relationship: has_part CHEBI:63246 [Term] id: CHEBI:51982 name: DY-734 def: "An organic trisodium salt having 2-(5-{7-[bis(3-sulfonatopropyl)amino]-2-tert-butylchromenium-4-yl}penta-2,4-dien-1-ylidene)-3-(3-carboxypropyl)-3-methyl-1-(3-sulfonatopropyl)indoline-5-sulfonate as the counterion." [] synonym: "trisodium 2-(5-{7-[bis(3-sulfonatopropyl)amino]-2-tert-butylchromenium-4-yl}penta-2,4-dien-1-ylidene)-3-(3-carboxypropyl)-3-methyl-1-(3-sulfonatopropyl)indoline-5-sulfonate" EXACT IUPAC_NAME [IUPAC:] synonym: "C40H49N2Na3O15S4" RELATED FORMULA [ChEBI:] synonym: "[Na+].[Na+].[Na+].[H]C(=C([H])C([H])=C1N(CCCS([O-])(=O)=O)c2ccc(cc2C1(C)CCCC(O)=O)S([O-])(=O)=O)C([H])=C([H])c1cc([o+]c2cc(ccc12)N(CCCS([O-])(=O)=O)CCCS([O-])(=O)=O)C(C)(C)C" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C40H52N2O15S4.3Na/c1-39(2,3)37-26-29(32-17-15-30(27-35(32)57-37)41(20-9-23-58(45,46)47)21-10-24-59(48,49)50)12-6-5-7-13-36-40(4,19-8-14-38(43)44)33-28-31(61(54,55)56)16-18-34(33)42(36)22-11-25-60(51,52)53;;;/h5-7,12-13,15-18,26-28H,8-11,14,19-25H2,1-4H3,(H4-,43,44,45,46,47,48,49,50,51,52,53,54,55,56);;;/q;3*+1/p-3" RELATED InChI [ChEBI:] synonym: "InChIKey=HRCXAQOQMCEDSE-UHFFFAOYSA-K" RELATED InChIKey [ChEBI:] is_a: CHEBI:38700 relationship: has_role CHEBI:51217 relationship: has_part CHEBI:63297 [Term] id: CHEBI:51984 name: DY-751 def: "An organic sodium salt that has formula C42H51N2O9S2Na." [] synonym: "sodium 2-[5-(2-tert-butyl-9-ethyl-6,8,8-trimethyl-8,9-dihydropyrano[3,2-g]quinolin-1-ium-4-yl)penta-2,4-dien-1-ylidene]-3-(3-carboxypropyl)-3-methyl-1-(3-sulfonatopropyl)indoline-5-sulfonate" EXACT IUPAC_NAME [IUPAC:] synonym: "C42H51N2O9S2Na" RELATED FORMULA [ChEBI:] synonym: "[Na+].[H]C(=C([H])C([H])=C1N(CCCS([O-])(=O)=O)c2ccc(cc2C1(C)CCCC(O)=O)S([O-])(=O)=O)C([H])=C([H])c1cc([o+]c2cc3N(CC)C(C)(C)C=C(C)c3cc12)C(C)(C)C" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C42H52N2O9S2.Na/c1-9-44-35-26-36-32(25-31(35)28(2)27-41(44,6)7)29(23-38(53-36)40(3,4)5)15-11-10-12-16-37-42(8,20-13-17-39(45)46)33-24-30(55(50,51)52)18-19-34(33)43(37)21-14-22-54(47,48)49;/h10-12,15-16,18-19,23-27H,9,13-14,17,20-22H2,1-8H3,(H2-,45,46,47,48,49,50,51,52);/q;+1/p-1" RELATED InChI [ChEBI:] synonym: "InChIKey=YUCIHMYMPLDIBX-UHFFFAOYSA-M" RELATED InChIKey [ChEBI:] is_a: CHEBI:38700 relationship: has_role CHEBI:51217 relationship: has_part CHEBI:52834 [Term] id: CHEBI:51956 name: DY-651 def: "An organic sodium salt that has formula C40H49N2NaO9S2." [] synonym: "sodium 2-[3-(2-tert-butyl-9-ethyl-6,8,8-trimethyl-8,9-dihydropyrano[3,2-g]quinolin-1-ium-4-yl)prop-2-en-1-ylidene]-3-(3-carboxypropyl)-3-methyl-1-(3-sulfonatopropyl)indoline-5-sulfonate" EXACT IUPAC_NAME [IUPAC:] synonym: "C40H49N2NaO9S2" RELATED FORMULA [ChEBI:] synonym: "[Na+].[H]C(=C([H])c1cc([o+]c2cc3N(CC)C(C)(C)C=C(C)c3cc12)C(C)(C)C)C([H])=C1N(CCCS([O-])(=O)=O)c2ccc(cc2C1(C)CCCC(O)=O)S([O-])(=O)=O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C40H50N2O9S2.Na/c1-9-42-33-24-34-30(23-29(33)26(2)25-39(42,6)7)27(21-36(51-34)38(3,4)5)13-10-14-35-40(8,18-11-15-37(43)44)31-22-28(53(48,49)50)16-17-32(31)41(35)19-12-20-52(45,46)47;/h10,13-14,16-17,21-25H,9,11-12,15,18-20H2,1-8H3,(H2-,43,44,45,46,47,48,49,50);/q;+1/p-1" RELATED InChI [ChEBI:] synonym: "InChIKey=SAEJOOFAQUZERL-UHFFFAOYSA-M" RELATED InChIKey [ChEBI:] relationship: has_role CHEBI:51217 is_a: CHEBI:38700 relationship: has_part CHEBI:52824 [Term] id: CHEBI:51986 name: DY-776 def: "An organic monosodium salt that has 3-(3-carboxypropyl)-2-[5-(9-ethyl-6,8,8-trimethyl-2-phenyl-8,9-dihydropyrano[3,2-g]quinolin-1-ium-4-yl)penta-2,4-dien-1-ylidene]-3-methyl-1-(3-sulfonatopropyl)indoline-5-sulfonate as the counterion." [] synonym: "sodium 3-(3-carboxypropyl)-2-[5-(9-ethyl-6,8,8-trimethyl-2-phenyl-8,9-dihydropyrano[3,2-g]quinolin-1-ium-4-yl)penta-2,4-dien-1-ylidene]-3-methyl-1-(3-sulfonatopropyl)indoline-5-sulfonate" EXACT IUPAC_NAME [IUPAC:] synonym: "C44H47N2NaO9S2" RELATED FORMULA [ChEBI:] synonym: "[Na+].[H]C(=C([H])C([H])=C1N(CCCS([O-])(=O)=O)c2ccc(cc2C1(C)CCCC(O)=O)S([O-])(=O)=O)C([H])=C([H])c1cc([o+]c2cc3N(CC)C(C)(C)C=C(C)c3cc12)-c1ccccc1" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C44H48N2O9S2.Na/c1-6-46-38-28-40-35(27-34(38)30(2)29-43(46,3)4)32(25-39(55-40)31-15-9-7-10-16-31)17-11-8-12-18-41-44(5,22-13-19-42(47)48)36-26-33(57(52,53)54)20-21-37(36)45(41)23-14-24-56(49,50)51;/h7-12,15-18,20-21,25-29H,6,13-14,19,22-24H2,1-5H3,(H2-,47,48,49,50,51,52,53,54);/q;+1/p-1" RELATED InChI [ChEBI:] synonym: "InChIKey=NBRJKWNYFLEEOQ-UHFFFAOYSA-M" RELATED InChIKey [ChEBI:] xref: Reaxys:19570575 "Reaxys Registry Number" is_a: CHEBI:38700 relationship: has_role CHEBI:51217 relationship: has_part CHEBI:52835 [Term] id: CHEBI:31358 name: carindacillin sodium def: "An organic sodium salt that has formula C26H25N2NaO6S." [] synonym: "Carbenicillin indanyl sodium" RELATED [KEGG COMPOUND:] synonym: "sodium 6beta-{2-[(2,3-dihydro-1H-inden-5-yloxy)carbonyl]-2-phenylacetamido}-2,2-dimethylpenam-3alpha-carboxylate" RELATED [IUPAC:] synonym: "Geocillin" RELATED BRAND_NAME [KEGG DRUG:] synonym: "sodium (2S,5R,6R)-6-{[3-(2,3-dihydro-1H-inden-5-yloxy)-3-oxo-2-phenylpropanoyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate" RELATED [IUPAC:] synonym: "sodium 5-indanylcarbenicillin" RELATED [ChEBI:] synonym: "Carindacillin sodium" EXACT [KEGG COMPOUND:] synonym: "indanyl carbenicillin sodium salt" RELATED [ChemIDplus:] synonym: "sodium 6beta-[3-(2,3-dihydro-1H-inden-5-yloxy)-3-oxo-2-phenylpropanamido]-2,2-dimethylpenam-3alpha-carboxylate" EXACT IUPAC_NAME [IUPAC:] synonym: "C26H25N2NaO6S" RELATED FORMULA [ChEBI:] synonym: "C26H25N2O6S.Na" RELATED FORMULA [KEGG COMPOUND:] synonym: "[Na+].[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)C(C(=O)Oc1ccc2CCCc2c1)c1ccccc1)C([O-])=O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C26H26N2O6S.Na/c1-26(2)20(24(31)32)28-22(30)19(23(28)35-26)27-21(29)18(15-7-4-3-5-8-15)25(33)34-17-12-11-14-9-6-10-16(14)13-17;/h3-5,7-8,11-13,18-20,23H,6,9-10H2,1-2H3,(H,27,29)(H,31,32);/q;+1/p-1/t18?,19-,20+,23-;/m1./s1" RELATED InChI [ChEBI:] synonym: "InChIKey=QFWPXOXWAUAYAB-XZVIDJSISA-M" RELATED InChIKey [ChEBI:] xref: KEGG COMPOUND:C12712 "KEGG COMPOUND" xref: KEGG COMPOUND:26605-69-6 "CAS Registry Number" xref: KEGG DRUG:D01283 "KEGG DRUG" xref: ChemIDplus:26605-69-6 "CAS Registry Number" is_a: CHEBI:38700 relationship: has_part CHEBI:52016 [Term] id: CHEBI:34691 name: dicloxacillin sodium def: "An organic sodium salt that has formula C19H16Cl2N3NaO5S." [] synonym: "Sodium dicloxacillin" RELATED [ChemIDplus:] synonym: "Dicloxacillin sodium" EXACT [KEGG COMPOUND:] synonym: "sodium 6beta-{[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]carboxamido}-2,2-dimethylpenam-3alpha-carboxylate" EXACT IUPAC_NAME [IUPAC:] synonym: "C19H16Cl2N3NaO5S" RELATED FORMULA [ChEBI:] synonym: "[Na+].[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)c1c(C)onc1-c1c(Cl)cccc1Cl)C([O-])=O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C19H17Cl2N3O5S.Na/c1-7-10(12(23-29-7)11-8(20)5-4-6-9(11)21)15(25)22-13-16(26)24-14(18(27)28)19(2,3)30-17(13)24;/h4-6,13-14,17H,1-3H3,(H,22,25)(H,27,28);/q;+1/p-1/t13-,14+,17-;/m1./s1" RELATED InChI [ChEBI:] synonym: "InChIKey=GXOMMGAFBINOJY-SLINCCQESA-M" RELATED InChIKey [ChEBI:] xref: Beilstein:4778711 "Beilstein Registry Number" xref: ChemIDplus:343-55-5 "CAS Registry Number" xref: DrugBank:DB00485 "DrugBank" xref: KEGG COMPOUND:C13756 "KEGG COMPOUND" is_a: CHEBI:38700 relationship: has_part CHEBI:52017 [Term] id: CHEBI:52019 name: dicloxacillin sodium monohydrate def: "A hydrate that has formula C19H16Cl2N3O5S.Na.H2O." [] synonym: "Dicloxacillin sodium" RELATED [ChemIDplus:] synonym: "sodium (2S,5R,6R)-6-({[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbonyl}amino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate hydrate" RELATED [IUPAC:] synonym: "sodium 6beta-{[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]carboxamido}-2,2-dimethylpenam-3alpha-carboxylate--water (1/1)" EXACT IUPAC_NAME [IUPAC:] synonym: "Dicloxacillin sodium salt hydrate" RELATED [ChemIDplus:] synonym: "Dicloxacillin sodium hydrate" RELATED [ChemIDplus:] synonym: "C19H16Cl2N3O5S.Na.H2O" RELATED FORMULA [KEGG COMPOUND:] synonym: "C19H18Cl2N3NaO6S" RELATED FORMULA [ChEBI:] synonym: "[Na+].[H]O[H].[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)c1c(C)onc1-c1c(Cl)cccc1Cl)C([O-])=O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C19H17Cl2N3O5S.Na.H2O/c1-7-10(12(23-29-7)11-8(20)5-4-6-9(11)21)15(25)22-13-16(26)24-14(18(27)28)19(2,3)30-17(13)24;;/h4-6,13-14,17H,1-3H3,(H,22,25)(H,27,28);;1H2/q;+1;/p-1/t13-,14+,17-;;/m1../s1" RELATED InChI [ChEBI:] synonym: "InChIKey=SIGZQNJITOWQEF-VICXVTCVSA-M" RELATED InChIKey [ChEBI:] xref: ChemIDplus:13412-64-1 "CAS Registry Number" xref: KEGG COMPOUND:C13756 "KEGG COMPOUND" xref: KEGG DRUG:D02137 "KEGG DRUG" is_a: CHEBI:35505 relationship: has_part CHEBI:34691 [Term] id: CHEBI:31615 name: flucloxacillin sodium def: "An organic sodium salt that has formula C19H16ClFN3O5S.Na." [] synonym: "Flucloxacillin sodium salt" RELATED [KEGG DRUG:] synonym: "Flucloxacillin-Sodium" RELATED [DrugBank:] synonym: "sodium 6beta-[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamido]-2,2-dimethylpenam-3alpha-carboxylate" EXACT IUPAC_NAME [IUPAC:] synonym: "Floxapen" RELATED BRAND_NAME [KEGG DRUG:] synonym: "C19H16ClFN3O5S.Na" RELATED FORMULA [KEGG DRUG:] synonym: "C19H16ClFN3NaO5S" RELATED FORMULA [ChEBI:] synonym: "[Na+].[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)c1c(C)onc1-c1c(F)cccc1Cl)C([O-])=O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C19H17ClFN3O5S.Na/c1-7-10(12(23-29-7)11-8(20)5-4-6-9(11)21)15(25)22-13-16(26)24-14(18(27)28)19(2,3)30-17(13)24;/h4-6,13-14,17H,1-3H3,(H,22,25)(H,27,28);/q;+1/p-1/t13-,14+,17-;/m1./s1" RELATED InChI [ChEBI:] synonym: "InChIKey=OTEANHMVDHZOPB-SLINCCQESA-M" RELATED InChIKey [ChEBI:] xref: Beilstein:5402507 "Beilstein Registry Number" xref: KEGG DRUG:1847-24-1 "CAS Registry Number" xref: DrugBank:DB00301 "DrugBank" xref: KEGG DRUG:D07965 "KEGG DRUG" is_a: CHEBI:38700 relationship: has_part CHEBI:52037 [Term] id: CHEBI:52040 name: flucloxacillin sodium monohydrate def: "A hydrate that has formula C19H18ClFN3NaO6S." [] synonym: "3-(2-Chloro-6-fluorophenyl)-5-methyl-4-isoxazolylpenicillin sodium monohydrate" RELATED [ChemIDplus:] synonym: "Floxacillin sodium monohydrate" RELATED [ChemIDplus:] synonym: "sodium 6beta-{[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]carboxamido}-2,2-dimethylpenam-3alpha-carboxylate--water (1/1)" EXACT IUPAC_NAME [IUPAC:] synonym: "sodium (2S,5R,6R)-6-({[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]carbonyl}amino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate hydrate" RELATED [IUPAC:] synonym: "C19H18ClFN3NaO6S" RELATED FORMULA [ChEBI:] synonym: "C19H16ClFN3O5S.Na.H2O" RELATED FORMULA [KEGG DRUG:] synonym: "[Na+].[H]O[H].[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)c1c(C)onc1-c1c(F)cccc1Cl)C([O-])=O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C19H17ClFN3O5S.Na.H2O/c1-7-10(12(23-29-7)11-8(20)5-4-6-9(11)21)15(25)22-13-16(26)24-14(18(27)28)19(2,3)30-17(13)24;;/h4-6,13-14,17H,1-3H3,(H,22,25)(H,27,28);;1H2/q;+1;/p-1/t13-,14+,17-;;/m1../s1" RELATED InChI [ChEBI:] synonym: "InChIKey=PARMJFIQRZRMHG-VICXVTCVSA-M" RELATED InChIKey [ChEBI:] xref: Beilstein:5714790 "Beilstein Registry Number" xref: KEGG DRUG:34214-51-2 "CAS Registry Number" xref: ChemIDplus:34214-51-2 "CAS Registry Number" is_a: CHEBI:35505 relationship: has_part CHEBI:31615 [Term] id: CHEBI:52053 name: eosin YS dye def: "An organobromine compound that has formula C20H6Br4Na2O5." [] synonym: "disodium 2-(2,4,5,7-tetrabromo-6-oxido-3-oxo-3H-xanthen-9-yl)benzoate" EXACT IUPAC_NAME [IUPAC:] synonym: "2',4',5',7'-Tetrabromo-3',6'-dihydroxyspiro(isobenzofuran-1(3H),9-'-(9H)xanthen)-3-one, disodium salt" RELATED [ChemIDplus:] synonym: "Eosine G" RELATED [ChemIDplus:] synonym: "Eosin Y" RELATED [ChemIDplus:] synonym: "Eosine Yellowish" RELATED [ChemIDplus:] synonym: "Acid red 87" RELATED [ChemIDplus:] synonym: "C20H6Br4Na2O5" RELATED FORMULA [ChEBI:] synonym: "[Na+].[Na+].[O-]C(=O)c1ccccc1-c1c2cc(Br)c([O-])c(Br)c2oc2c(Br)c(=O)c(Br)cc12" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C20H8Br4O5.2Na/c21-11-5-9-13(7-3-1-2-4-8(7)20(27)28)10-6-12(22)17(26)15(24)19(10)29-18(9)14(23)16(11)25;;/h1-6,25H,(H,27,28);;/q;2*+1/p-2" RELATED InChI [ChEBI:] synonym: "InChIKey=SEACYXSIPDVVMV-UHFFFAOYSA-L" RELATED InChIKey [ChEBI:] xref: ChemIDplus:17372-87-1 "CAS Registry Number" xref: Beilstein:3586809 "Beilstein Registry Number" is_a: CHEBI:37141 is_a: CHEBI:38700 relationship: has_role CHEBI:51217 relationship: has_part CHEBI:52836 [Term] id: CHEBI:52063 name: metampicillin sodium def: "An organic sodium salt that has formula C17H18N3O4S.Na." [] synonym: "sodium 6beta-[(2R)-2-(methylideneamino)-2-phenylacetamido]penicillanate" RELATED [ChEBI:] synonym: "sodium 6beta-[(2R)-2-(methylideneamino)-2-phenylacetamido]-2,2-dimethylpenam-3alpha-carboxylate" EXACT IUPAC_NAME [IUPAC:] synonym: "sodium (2S,5R,6R)-3,3-dimethyl-6-{[(2R)-2-(methylideneamino)-2-phenylacetyl]amino}-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate" RELATED [IUPAC:] synonym: "C17H18N3O4S.Na" RELATED FORMULA [KEGG DRUG:] synonym: "C17H18N3NaO4S" RELATED FORMULA [ChEBI:] synonym: "[Na+].[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)[C@H](N=C)c1ccccc1)C([O-])=O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C17H19N3O4S.Na/c1-17(2)12(16(23)24)20-14(22)11(15(20)25-17)19-13(21)10(18-3)9-7-5-4-6-8-9;/h4-8,10-12,15H,3H2,1-2H3,(H,19,21)(H,23,24);/q;+1/p-1/t10-,11-,12+,15-;/m1./s1" RELATED InChI [ChEBI:] synonym: "InChIKey=CRTBAVDGJWEWNJ-GKANRWTBSA-M" RELATED InChIKey [ChEBI:] xref: KEGG DRUG:D08191 "KEGG DRUG" is_a: CHEBI:38700 relationship: has_part CHEBI:52062 [Term] id: CHEBI:52065 name: methicillin sodium def: "An organic sodium salt that has formula C17H19N2NaO6S." [] synonym: "Meticillin sodium" RELATED [ChemIDplus:] synonym: "Meticillin sodium salt" RELATED [ChemIDplus:] synonym: "sodium 6beta-(2,6-dimethoxybenzamido)penicillanate" RELATED [ChEBI:] synonym: "Methicillin sodium anhydrous" RELATED [ChemIDplus:] synonym: "sodium (2S,5R,6R)-6-[(2,6-dimethoxybenzoyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate" RELATED [IUPAC:] synonym: "Dimocillin sodium" RELATED [ChemIDplus:] synonym: "sodium 6beta-(2,6-dimethoxybenzamido)-2,2-dimethylpenam-3alpha-carboxylate" EXACT IUPAC_NAME [IUPAC:] synonym: "C17H19N2NaO6S" RELATED FORMULA [ChEBI:] synonym: "C17H19N2O6S.Na" RELATED FORMULA [ChemIDplus:] synonym: "[Na+].[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)c1c(OC)cccc1OC)C([O-])=O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C17H20N2O6S.Na/c1-17(2)12(16(22)23)19-14(21)11(15(19)26-17)18-13(20)10-8(24-3)6-5-7-9(10)25-4;/h5-7,11-12,15H,1-4H3,(H,18,20)(H,22,23);/q;+1/p-1/t11-,12+,15-;/m1./s1" RELATED InChI [ChEBI:] synonym: "InChIKey=MGFZNWDWOKASQZ-UMLIZJHQSA-M" RELATED InChIKey [ChEBI:] xref: Patent:US2951839 "Patent" xref: Beilstein:4778015 "Beilstein Registry Number" xref: ChemIDplus:132-92-3 "CAS Registry Number" is_a: CHEBI:38700 relationship: has_part CHEBI:52064 [Term] id: CHEBI:34836 name: methicillin sodium monohydrate def: "A hydrate that has formula C17H19N2O6S.Na.H2O." [] synonym: "sodium 6beta-(2,6-dimethoxybenzamido)-2,2-dimethylpenam-3alpha-carboxylate--water (1/1)" EXACT IUPAC_NAME [IUPAC:] synonym: "Sodium methicillin monohydrate" RELATED [KEGG COMPOUND:] synonym: "sodium 6beta-(2,6-dimethoxybenzamido)penicillanate hydrate" RELATED [ChEBI:] synonym: "sodium (2S,5R,6R)-6-[(2,6-dimethoxybenzoyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate hydrate" RELATED [IUPAC:] synonym: "C17H19N2O6S.Na.H2O" RELATED FORMULA [KEGG COMPOUND:] synonym: "C17H21N2NaO7S" RELATED FORMULA [ChEBI:] synonym: "[Na+].[H]O[H].[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)c1c(OC)cccc1OC)C([O-])=O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C17H20N2O6S.Na.H2O/c1-17(2)12(16(22)23)19-14(21)11(15(19)26-17)18-13(20)10-8(24-3)6-5-7-9(10)25-4;;/h5-7,11-12,15H,1-4H3,(H,18,20)(H,22,23);;1H2/q;+1;/p-1/t11-,12+,15-;;/m1../s1" RELATED InChI [ChEBI:] synonym: "InChIKey=NRZPASQBOYNGHR-HWROMZCQSA-M" RELATED InChIKey [ChEBI:] xref: KEGG COMPOUND:C13973 "KEGG COMPOUND" xref: KEGG COMPOUND:7246-14-2 "CAS Registry Number" xref: KEGG DRUG:D02196 "KEGG DRUG" is_a: CHEBI:35505 relationship: has_part CHEBI:52065 [Term] id: CHEBI:52067 name: mezlocillin sodium def: "An organic sodium salt that has formula C21H24N5O8S2.Na." [] synonym: "sodium 6beta-{(2R)-2-[3-(methanesulfonyl)-2-oxoimidazolidine-1-carboxamido]-2-phenylacetamido}penicillanate" RELATED [ChEBI:] synonym: "sodium (2S,5R,6R)-3,3-dimethyl-6-{[(2R)-2-({[3-(methylsulfonyl)-2-oxoimidazolidin-1-yl]carbonyl}amino)-2-phenylacetyl]amino}-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate" RELATED [IUPAC:] synonym: "sodium 6beta-{(2R)-2-[3-(methanesulfonyl)-2-oxoimidazolidine-1-carboxamido]-2-phenylacetamido}-2,2-dimethylpenam-3alpha-carboxylate" EXACT IUPAC_NAME [IUPAC:] synonym: "C21H24N5O8S2.Na" RELATED FORMULA [KEGG DRUG:] synonym: "C21H24N5NaO8S2" RELATED FORMULA [ChEBI:] synonym: "[Na+].[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)[C@H](NC(=O)N1CCN(C1=O)S(C)(=O)=O)c1ccccc1)C([O-])=O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C21H25N5O8S2.Na/c1-21(2)14(18(29)30)26-16(28)13(17(26)35-21)22-15(27)12(11-7-5-4-6-8-11)23-19(31)24-9-10-25(20(24)32)36(3,33)34;/h4-8,12-14,17H,9-10H2,1-3H3,(H,22,27)(H,23,31)(H,29,30);/q;+1/p-1/t12-,13-,14+,17-;/m1./s1" RELATED InChI [ChEBI:] synonym: "InChIKey=GTGQRSIMEUWHPA-ZBJAFUORSA-M" RELATED InChIKey [ChEBI:] xref: KEGG DRUG:D05022 "KEGG DRUG" xref: Beilstein:6051016 "Beilstein Registry Number" xref: KEGG DRUG:59798-30-0 "CAS Registry Number" is_a: CHEBI:38700 relationship: has_part CHEBI:52066 [Term] id: CHEBI:52068 name: mezlocillin sodium monohydrate def: "A hydrate that has formula C21H26N5NaO9S2." [] synonym: "sodium 6beta-{(2R)-2-[3-(methanesulfonyl)-2-oxoimidazolidine-1-carboxamido]-2-phenylacetamido}-2,2-dimethylpenam-3alpha-carboxylate--water (1/1)" EXACT IUPAC_NAME [IUPAC:] synonym: "sodium (2S,5R,6R)-3,3-dimethyl-6-{[(2R)-2-({[3-(methylsulfonyl)-2-oxoimidazolidin-1-yl]carbonyl}amino)-2-phenylacetyl]amino}-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate hydrate" RELATED [IUPAC:] synonym: "sodium 6beta-{(2R)-2-[3-(methanesulfonyl)-2-oxoimidazolidine-1-carboxamido]-2-phenylacetamido}penicillanate hydrate" RELATED [ChEBI:] synonym: "C21H26N5NaO9S2" RELATED FORMULA [ChEBI:] synonym: "C21H24N5O8S2.Na.H2O" RELATED FORMULA [KEGG DRUG:] synonym: "[Na+].[H]O[H].[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)[C@H](NC(=O)N1CCN(C1=O)S(C)(=O)=O)c1ccccc1)C([O-])=O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C21H25N5O8S2.Na.H2O/c1-21(2)14(18(29)30)26-16(28)13(17(26)35-21)22-15(27)12(11-7-5-4-6-8-11)23-19(31)24-9-10-25(20(24)32)36(3,33)34;;/h4-8,12-14,17H,9-10H2,1-3H3,(H,22,27)(H,23,31)(H,29,30);;1H2/q;+1;/p-1/t12-,13-,14+,17-;;/m1../s1" RELATED InChI [ChEBI:] synonym: "InChIKey=CZXDIDROKIDGNE-SYNJJEHYSA-M" RELATED InChIKey [ChEBI:] xref: KEGG DRUG:D02221 "KEGG DRUG" xref: KEGG DRUG:80495-46-1 "CAS Registry Number" is_a: CHEBI:35505 relationship: has_part CHEBI:52067 [Term] id: CHEBI:52083 name: pyranine def: "An organic sodium salt that has formula C16H7Na3O10S3." [] synonym: "Solvent Green 7" RELATED [ChemIDplus:] synonym: "trisodium 8-hydroxypyrene-1,3,6-trisulfonate" EXACT IUPAC_NAME [IUPAC:] synonym: "11389 Green" RELATED [ChemIDplus:] synonym: "Japan Green 204" RELATED [ChemIDplus:] synonym: "Trisodium 1-hydroxy-3,6,8-pyrenetrisulfonate" RELATED [ChemIDplus:] synonym: "8-Hydroxy-1,3,6-pyrenetrisulfonic acid trisodium salt" RELATED [ChemIDplus:] synonym: "8-Hydroxypyrene-1,3,6-trisulfonic acid sodium salt" RELATED [ChemIDplus:] synonym: "C16H7Na3O10S3" RELATED FORMULA [ChEBI:] synonym: "[Na+].[Na+].[Na+].Oc1cc(c2ccc3c(cc(c4ccc1c2c34)S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C16H10O10S3.3Na/c17-11-5-12(27(18,19)20)8-3-4-10-14(29(24,25)26)6-13(28(21,22)23)9-2-1-7(11)15(8)16(9)10;;;/h1-6,17H,(H,18,19,20)(H,21,22,23)(H,24,25,26);;;/q;3*+1/p-3" RELATED InChI [ChEBI:] synonym: "InChIKey=KXXXUIKPSVVSAW-UHFFFAOYSA-K" RELATED InChIKey [ChEBI:] xref: ChemIDplus:6358-69-6 "CAS Registry Number" xref: Beilstein:4107272 "Beilstein Registry Number" is_a: CHEBI:38700 relationship: has_parent_hydride CHEBI:39106 relationship: has_role CHEBI:51217 relationship: has_part CHEBI:52861 [Term] id: CHEBI:52096 name: sodium ethoxide def: "An organic monosodium salt that has ethoxide as the counterion." [] synonym: "Caustic alcohol" RELATED [ChemIDplus:] synonym: "NaOEt" RELATED [ChEBI:] synonym: "sodium ethanolate" EXACT IUPAC_NAME [IUPAC:] synonym: "Sodium ethylate" RELATED [ChemIDplus:] synonym: "Ethoxysodium" RELATED [ChemIDplus:] synonym: "C2H5NaO" RELATED FORMULA [ChEBI:] synonym: "[Na+].CC[O-]" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C2H5O.Na/c1-2-3;/h2H2,1H3;/q-1;+1" RELATED InChI [ChEBI:] synonym: "InChIKey=QDRKDTQENPPHOJ-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: ChemIDplus:141-52-6 "CAS Registry Number" xref: Beilstein:3593646 "Beilstein Registry Number" xref: Reaxys:3593646 "Reaxys Registry Number" xref: NIST Chemistry WebBook:141-52-6 "CAS Registry Number" xref: Wikipedia:Sodium_ethoxide "Wikipedia" is_a: CHEBI:38700 relationship: has_part CHEBI:52092 relationship: has_role CHEBI:59740 [Term] id: CHEBI:52101 name: lissamine rhodamine def: "An organic sodium salt that has formula C29H33N2NaO7S2." [] synonym: "Food Red 106" RELATED [ChemIDplus:] synonym: "Xylene Red B" RELATED [ChemIDplus:] synonym: "Acid Red 52" RELATED [ChemIDplus:] synonym: "Acid Red XB" RELATED [ChemIDplus:] synonym: "Acid Rhodamine B" RELATED [ChemIDplus:] synonym: "sodium 4-[3,6-bis(diethylamino)-2,7-dimethylxanthenium-9-yl]benzene-1,3-disulfonate" EXACT IUPAC_NAME [IUPAC:] synonym: "Sulforhodamine B" RELATED [ChemIDplus:] synonym: "Amido Rhodamine B" RELATED [ChemIDplus:] synonym: "Kiton Rhodamine B" RELATED [ChemIDplus:] synonym: "C29H33N2NaO7S2" RELATED FORMULA [ChEBI:] synonym: "[Na+].CCN(CC)c1cc2[o+]c3cc(N(CC)CC)c(C)cc3c(-c3ccc(cc3S([O-])(=O)=O)S([O-])(=O)=O)c2cc1C" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C29H34N2O7S2.Na/c1-7-30(8-2)24-16-26-22(13-18(24)5)29(21-12-11-20(39(32,33)34)15-28(21)40(35,36)37)23-14-19(6)25(17-27(23)38-26)31(9-3)10-4;/h11-17H,7-10H2,1-6H3,(H-,32,33,34,35,36,37);/q;+1/p-1" RELATED InChI [ChEBI:] synonym: "InChIKey=XJENLUNLXRJLEZ-UHFFFAOYSA-M" RELATED InChIKey [ChEBI:] xref: ChemIDplus:3520-42-1 "CAS Registry Number" is_a: CHEBI:38700 relationship: has_role CHEBI:51217 relationship: has_part CHEBI:52866 [Term] id: CHEBI:52129 name: merocyanine 540 def: "An organic sodium salt that has formula C26H32N3NaO6S2." [] synonym: "sodium 3-{2-[4-(1,3-dibutyl-4,6-dioxo-2-sulfanylidenetetrahydropyrimidin-5(2H)-ylidene)but-2-en-1-ylidene]-1,3-benzoxazol-3(2H)-yl}propane-1-sulfonate" EXACT IUPAC_NAME [IUPAC:] synonym: "C26H32N3NaO6S2" RELATED FORMULA [ChEBI:] synonym: "[Na+].[H]C(=CC([H])=C1Oc2ccccc2N1CCCS([O-])(=O)=O)C([H])=C1C(=O)N(CCCC)C(=S)N(CCCC)C1=O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C26H33N3O6S2.Na/c1-3-5-16-28-24(30)20(25(31)29(26(28)36)17-6-4-2)12-7-10-15-23-27(18-11-19-37(32,33)34)21-13-8-9-14-22(21)35-23;/h7-10,12-15H,3-6,11,16-19H2,1-2H3,(H,32,33,34);/q;+1/p-1" RELATED InChI [ChEBI:] synonym: "InChIKey=OSQUFVVXNRMSHL-UHFFFAOYSA-M" RELATED InChIKey [ChEBI:] xref: ChemIDplus:62796-23-0 "CAS Registry Number" xref: NIST Chemistry WebBook:62796-23-0 "CAS Registry Number" is_a: CHEBI:38700 relationship: has_role CHEBI:51217 relationship: has_part CHEBI:52872 [Term] id: CHEBI:52134 name: oxacillin sodium def: "An organic sodium salt that has formula C19H18N3NaO5S." [] synonym: "oxacillin sodium salt" RELATED [ChemIDplus:] synonym: "sodium 6beta-(5-methyl-3-phenylisoxazol-4-yl)penicillanate" RELATED [ChEBI:] synonym: "sodium 2,2-dimethyl-6beta-(5-methyl-3-phenyl-1,2-oxazole-4-carboxamido)penam-3alpha-carboxylate" EXACT IUPAC_NAME [IUPAC:] synonym: "C19H18N3NaO5S" RELATED FORMULA [ChEBI:] synonym: "[Na+].[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)c1c(C)onc1-c1ccccc1)C([O-])=O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C19H19N3O5S.Na/c1-9-11(12(21-27-9)10-7-5-4-6-8-10)15(23)20-13-16(24)22-14(18(25)26)19(2,3)28-17(13)22;/h4-8,13-14,17H,1-3H3,(H,20,23)(H,25,26);/q;+1/p-1/t13-,14+,17-;/m1./s1" RELATED InChI [ChEBI:] synonym: "InChIKey=VDUVBBMAXXHEQP-SLINCCQESA-M" RELATED InChIKey [ChEBI:] xref: ChemIDplus:1173-88-2 "CAS Registry Number" xref: Beilstein:4287093 "Beilstein Registry Number" xref: DrugBank:DB00713 "DrugBank" is_a: CHEBI:38700 relationship: has_part CHEBI:52132 [Term] id: CHEBI:7810 name: oxacillin sodium monohydrate def: "A hydrate that has formula C19H20N3NaO6S." [] synonym: "sodium 2,2-dimethyl-6beta-(5-methyl-3-phenyl-1,2-oxazole-4-carboxamido)penam-3alpha-carboxylate--water (1/1)" EXACT IUPAC_NAME [IUPAC:] synonym: "Oxacillin sodium salt monohydrate" RELATED [KEGG COMPOUND:] synonym: "sodium 6beta-(5-methyl-3-phenylisoxazol-4-yl)penicillanate hydrate" RELATED [ChEBI:] synonym: "C19H20N3NaO6S" RELATED FORMULA [ChEBI:] synonym: "C19H18N3O5S.Na.H2O" RELATED FORMULA [KEGG DRUG:] synonym: "[Na+].[H]O[H].[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)c1c(C)onc1-c1ccccc1)C([O-])=O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C19H19N3O5S.Na.H2O/c1-9-11(12(21-27-9)10-7-5-4-6-8-10)15(23)20-13-16(24)22-14(18(25)26)19(2,3)28-17(13)22;;/h4-8,13-14,17H,1-3H3,(H,20,23)(H,25,26);;1H2/q;+1;/p-1/t13-,14+,17-;;/m1../s1" RELATED InChI [ChEBI:] synonym: "InChIKey=ZVIYWUUZWWBNMB-VICXVTCVSA-M" RELATED InChIKey [ChEBI:] xref: KEGG DRUG:D00929 "KEGG DRUG" xref: KEGG DRUG:7240-38-2 "CAS Registry Number" is_a: CHEBI:35505 relationship: has_part CHEBI:52134 [Term] id: CHEBI:52275 name: sulforhodamine G def: "A xanthene dye that has formula C25H25N2NaO7S2." [] synonym: "Acid Rhodamine G" RELATED [ChEBI:] synonym: "sodium 4-[3,6-bis(ethylamino)-2,7-dimethylxanthenium-9-yl]benzene-1,3-disulfonate" EXACT IUPAC_NAME [IUPAC:] synonym: "Acid red 50" RELATED [ChemIDplus:] synonym: "C25H25N2NaO7S2" RELATED FORMULA [ChEBI:] synonym: "[Na+].CCNc1cc2[o+]c3cc(NCC)c(C)cc3c(-c3ccc(cc3S([O-])(=O)=O)S([O-])(=O)=O)c2cc1C" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C25H26N2O7S2.Na/c1-5-26-20-12-22-18(9-14(20)3)25(19-10-15(4)21(27-6-2)13-23(19)34-22)17-8-7-16(35(28,29)30)11-24(17)36(31,32)33;/h7-13,26-27H,5-6H2,1-4H3,(H-,28,29,30,31,32,33);/q;+1/p-1" RELATED InChI [ChEBI:] synonym: "InChIKey=YEOUFHBJWTZWCZ-UHFFFAOYSA-M" RELATED InChIKey [ChEBI:] xref: ChemIDplus:5873-16-5 "CAS Registry Number" is_a: CHEBI:38700 relationship: has_role CHEBI:51217 is_a: CHEBI:37929 relationship: has_part CHEBI:52921 [Term] id: CHEBI:8233 name: piperacillin sodium def: "An organic sodium salt that has formula C23H26N5O7S.Na." [] synonym: "Piperacillin sodium" EXACT [KEGG COMPOUND:] synonym: "sodium 6beta-{(2R)-2-[(4-ethyl-2,3-dioxopiperazin-1-yl)carboxamido]-2-phenylacetamido}-2,2-dimethylpenam-3alpha-carboxylate" EXACT IUPAC_NAME [IUPAC:] synonym: "Sodium piperacillin" RELATED [ChemIDplus:] synonym: "Pipracil" RELATED [KEGG COMPOUND:] synonym: "C23H26N5O7S.Na" RELATED FORMULA [KEGG COMPOUND:] synonym: "C23H26N5NaO7S" RELATED FORMULA [ChEBI:] synonym: "[Na+].[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)[C@H](NC(=O)N1CCN(CC)C(=O)C1=O)c1ccccc1)C([O-])=O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C23H27N5O7S.Na/c1-4-26-10-11-27(19(32)18(26)31)22(35)25-13(12-8-6-5-7-9-12)16(29)24-14-17(30)28-15(21(33)34)23(2,3)36-20(14)28;/h5-9,13-15,20H,4,10-11H2,1-3H3,(H,24,29)(H,25,35)(H,33,34);/q;+1/p-1/t13-,14-,15+,20-;/m1./s1" RELATED InChI [ChEBI:] synonym: "InChIKey=WCMIIGXFCMNQDS-IDYPWDAWSA-M" RELATED InChIKey [ChEBI:] xref: KEGG DRUG:D00466 "KEGG DRUG" xref: Beilstein:5373920 "Beilstein Registry Number" xref: KEGG COMPOUND:59703-84-3 "CAS Registry Number" xref: ChemIDplus:59703-84-3 "CAS Registry Number" xref: KEGG COMPOUND:C07361 "KEGG COMPOUND" xref: DrugBank:DB00319 "DrugBank" is_a: CHEBI:38700 relationship: has_part CHEBI:52433 [Term] id: CHEBI:32160 name: sulbenicillin disodium def: "An organic sodium salt that has formula C16H16N2Na2O7S2." [] synonym: "disodium 6beta-[phenyl(sulfonato)acetamido]-2,2-dimethylpenam-3alpha-carboxylate" EXACT IUPAC_NAME [IUPAC:] synonym: "Sulbenicillin disodium" EXACT [KEGG COMPOUND:] synonym: "sulbenicillin sodium" RELATED [ChEBI:] synonym: "Sulfobenzylpenicillin" RELATED [ChemIDplus:] synonym: "Disodium sulfobenzylpenicillin" RELATED [ChemIDplus:] synonym: "alpha-Sulfobenzylpenicillin disodium" RELATED [ChemIDplus:] synonym: "Disodium sulbenicillin" RELATED [ChemIDplus:] synonym: "Sulfocillin" RELATED [ChemIDplus:] synonym: "C16H16N2Na2O7S2" RELATED FORMULA [ChEBI:] synonym: "C16H16N2O7S2.2Na" RELATED FORMULA [KEGG DRUG:] synonym: "[Na+].[Na+].[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)C(c1ccccc1)S([O-])(=O)=O)C([O-])=O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C16H18N2O7S2.2Na/c1-16(2)11(15(21)22)18-13(20)9(14(18)26-16)17-12(19)10(27(23,24)25)8-6-4-3-5-7-8;;/h3-7,9-11,14H,1-2H3,(H,17,19)(H,21,22)(H,23,24,25);;/q;2*+1/p-2/t9-,10?,11+,14-;;/m1../s1" RELATED InChI [ChEBI:] synonym: "InChIKey=FWRNIJIOFYDBES-HCIBPFAFSA-L" RELATED InChIKey [ChEBI:] xref: KEGG DRUG:D01489 "KEGG DRUG" xref: KEGG DRUG:28002-18-8 "CAS Registry Number" xref: Beilstein:5402121 "Beilstein Registry Number" is_a: CHEBI:38700 relationship: has_part CHEBI:52436 [Term] id: CHEBI:52434 name: temocillin disodium def: "An organic sodium salt that has formula C16H16N2Na2O7S2." [] synonym: "Temocillin disodium salt" RELATED [ChemIDplus:] synonym: "temocillin sodium" RELATED [ChEBI:] synonym: "disodium 6beta-[carboxylato(thiophen-3-yl)acetamido]-6-methoxy-2,2-dimethylpenam-3alpha-carboxylate" EXACT IUPAC_NAME [IUPAC:] synonym: "C16H16N2Na2O7S2" RELATED FORMULA [ChEBI:] synonym: "[Na+].[Na+].[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@]2(NC(=O)C([H])(C([O-])=O)c1ccsc1)OC)C([O-])=O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C16H18N2O7S2.2Na/c1-15(2)9(12(22)23)18-13(24)16(25-3,14(18)27-15)17-10(19)8(11(20)21)7-4-5-26-6-7;;/h4-6,8-9,14H,1-3H3,(H,17,19)(H,20,21)(H,22,23);;/q;2*+1/p-2/t8?,9-,14+,16-;;/m0../s1" RELATED InChI [ChEBI:] synonym: "InChIKey=MRGCZDWBFFUEES-CWBCWDDISA-L" RELATED InChIKey [ChEBI:] xref: ChemIDplus:61545-06-0 "CAS Registry Number" is_a: CHEBI:38700 relationship: has_part CHEBI:52438 [Term] id: CHEBI:3490 name: cefmetazole sodium def: "The sodium salt of cefmetazole." [] synonym: "CMZ sodium" RELATED [ChemIDplus:] synonym: "Cefmetazon" RELATED [ChemIDplus:] synonym: "sodium 6beta-{[(cyanomethyl)sulfanyl]acetamido}-6alpha-methoxy-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}ceph-3-em-4-carboxylate" EXACT IUPAC_NAME [IUPAC:] synonym: "Cefmetazole sodium" EXACT [KEGG COMPOUND:] synonym: "CMZ" RELATED [KEGG DRUG:] synonym: "cefmetazone" RELATED [ChEBI:] synonym: "Zefazone" RELATED [ChemIDplus:] synonym: "SKF 83088 sodium" RELATED [ChemIDplus:] synonym: "CS 1170 sodium" RELATED [ChemIDplus:] synonym: "C15H16N7NaO5S3" RELATED FORMULA [ChEBI:] synonym: "C15H16N7O5S3.Na" RELATED FORMULA [KEGG COMPOUND:] synonym: "[Na+].[H][C@]12SCC(CSc3nnnn3C)=C(N1C(=O)[C@]2(NC(=O)CSCC#N)OC)C([O-])=O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C15H17N7O5S3.Na/c1-21-14(18-19-20-21)30-6-8-5-29-13-15(27-2,17-9(23)7-28-4-3-16)12(26)22(13)10(8)11(24)25;/h13H,4-7H2,1-2H3,(H,17,23)(H,24,25);/q;+1/p-1/t13-,15+;/m1./s1" RELATED InChI [ChEBI:] synonym: "InChIKey=BITQGIOJQWZUPL-PBCQUBLHSA-M" RELATED InChIKey [ChEBI:] xref: CiteXplore:6176550 "PubMed citation" xref: KEGG DRUG:D00911 "KEGG DRUG" xref: KEGG COMPOUND:C08104 "KEGG COMPOUND" xref: KEGG COMPOUND:56796-39-5 "CAS Registry Number" xref: Beilstein:5403925 "Beilstein Registry Number" xref: ChemIDplus:56796-39-5 "CAS Registry Number" is_a: CHEBI:38700 relationship: has_part CHEBI:52439 relationship: has_role CHEBI:22582 [Term] id: CHEBI:3492 name: cefonicid sodium def: "An organic sodium salt that has formula C18H16N6Na2O8S3." [] synonym: "Cefonicid sodium" EXACT [KEGG COMPOUND:] synonym: "cefonicid disodium" RELATED [ChEBI:] synonym: "C18H16N6Na2O8S3" RELATED FORMULA [ChEBI:] synonym: "C18H16N6O8S3.2Na" RELATED FORMULA [KEGG COMPOUND:] synonym: "[Na+].[Na+].[H][C@]12SCC(CSc3nnnn3CS([O-])(=O)=O)=C(N1C(=O)[C@H]2NC(=O)[C@H](O)c1ccccc1)C([O-])=O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C18H18N6O8S3.2Na/c25-13(9-4-2-1-3-5-9)14(26)19-11-15(27)24-12(17(28)29)10(6-33-16(11)24)7-34-18-20-21-22-23(18)8-35(30,31)32;;/h1-5,11,13,16,25H,6-8H2,(H,19,26)(H,28,29)(H,30,31,32);;/q;2*+1/p-2/t11-,13-,16-;;/m1../s1" RELATED InChI [ChEBI:] synonym: "InChIKey=NAXFZVGOZUWLEP-RFXDPDBWSA-L" RELATED InChIKey [ChEBI:] xref: KEGG COMPOUND:C08105 "KEGG COMPOUND" xref: ChemIDplus:61270-78-8 "CAS Registry Number" xref: KEGG COMPOUND:61270-78-8 "CAS Registry Number" xref: KEGG DRUG:D00912 "KEGG DRUG" is_a: CHEBI:38700 relationship: has_part CHEBI:52441 [Term] id: CHEBI:52725 name: DY-782 def: "An organic sodium salt that has formula C39H48N2Na2O12S3." [] synonym: "disodium 2-[5-{4-tert-butyl-7-[ethyl(3-sulfonatopropyl)amino]-2H-chromen-2-ylidene}penta-1,3-dien-1-yl]-3-(3-carboxypropyl)-3-methyl-1-(3-sulfonatopropyl)-3H-indolium-5-sulfonate" EXACT IUPAC_NAME [IUPAC:] synonym: "disodium 2-[5-{4-tert-butyl-7-[ethyl(3-sulfonatopropyl)amino]chromenium-2-yl}penta-2,4-dien-1-ylidene]-3-(3-carboxypropyl)-3-methyl-1-(3-sulfonatopropyl)indoline-5-sulfonate" EXACT IUPAC_NAME [IUPAC:] synonym: "C39H48N2Na2O12S3" RELATED FORMULA [ChEBI:] synonym: "[Na+].[Na+].[H]C(=C([H])C([H])=C1N(CCCS([O-])(=O)=O)c2ccc(cc2C1(C)CCCC(O)=O)S([O-])(=O)=O)C([H])=C([H])c1cc(c2ccc(cc2[o+]1)N(CC)CCCS([O-])(=O)=O)C(C)(C)C" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C39H50N2O12S3.2Na/c1-6-40(21-11-23-54(44,45)46)28-16-18-31-32(38(2,3)4)26-29(53-35(31)25-28)13-8-7-9-14-36-39(5,20-10-15-37(42)43)33-27-30(56(50,51)52)17-19-34(33)41(36)22-12-24-55(47,48)49;;/h7-9,13-14,16-19,25-27H,6,10-12,15,20-24H2,1-5H3,(H3-,42,43,44,45,46,47,48,49,50,51,52);;/q;2*+1/p-2" RELATED InChI [ChEBI:] synonym: "InChIKey=BQWMYHMBFOJBQN-UHFFFAOYSA-L" RELATED InChIKey [ChEBI:] is_a: CHEBI:38700 relationship: has_role CHEBI:51217 relationship: has_part CHEBI:52740 [Term] id: CHEBI:53258 name: sodium citrate def: "The trisodium salt of citric acid." [] synonym: "citric acid trisodium salt" RELATED [ChEBI:] synonym: "trisodium citrate" RELATED [ChEBI:] synonym: "trisodium 2-hydroxypropane-1,2,3-tricarboxylate" EXACT IUPAC_NAME [IUPAC:] synonym: "C6H5Na3O7" RELATED FORMULA [ChEBI:] synonym: "[Na+].[Na+].[Na+].OC(CC([O-])=O)(CC([O-])=O)C([O-])=O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C6H8O7.3Na/c7-3(8)1-6(13,5(11)12)2-4(9)10;;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;/q;3*+1/p-3" RELATED InChI [ChEBI:] synonym: "InChIKey=HRXKRNGNAMMEHJ-UHFFFAOYSA-K" RELATED InChIKey [ChEBI:] xref: Reaxys:3920956 "Reaxys Registry Number" xref: Wikipedia:Trisodium_citrate "Wikipedia" is_a: CHEBI:38700 relationship: has_part CHEBI:16947 relationship: has_role CHEBI:35617 relationship: has_role CHEBI:50249 [Term] id: CHEBI:32142 name: sodium citrate dihydrate def: "The dihydrate of trisodium citrate." [] synonym: "Sodium citrate hydrate" RELATED [ChEBI:] synonym: "Citronensaeure,Trinatrium-Salz-Dihydrat" RELATED [ChEBI:] synonym: "2-hydroxy-1,2,3-propanetricarboxylic acid trisodium salt dihydrate" RELATED [ChemIDplus:] synonym: "Sodium citrate" RELATED BRAND_NAME [KEGG DRUG:] synonym: "trisodium 2-hydroxypropane-1,2,3-tricarboxylate--water (1/2)" EXACT IUPAC_NAME [IUPAC:] synonym: "C6H5O7.3Na.2H2O" RELATED FORMULA [KEGG DRUG:] synonym: "C6H9Na3O9" RELATED FORMULA [ChEBI:] synonym: "O.O.[Na+].[Na+].[Na+].OC(CC([O-])=O)(CC([O-])=O)C([O-])=O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C6H8O7.3Na.2H2O/c7-3(8)1-6(13,5(11)12)2-4(9)10;;;;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;;2*1H2/q;3*+1;;/p-3" RELATED InChI [ChEBI:] synonym: "InChIKey=NLJMYIDDQXHKNR-UHFFFAOYSA-K" RELATED InChIKey [ChEBI:] xref: KEGG DRUG:D01781 "KEGG DRUG" xref: Beilstein:3920956 "Beilstein Registry Number" xref: ChemIDplus:6132-04-3 "CAS Registry Number" is_a: CHEBI:35505 relationship: has_part CHEBI:53258 relationship: has_role CHEBI:50249 [Term] id: CHEBI:53269 name: poly(sodium acrylate) macromolecule def: "An organic sodium salt which is a macromolecule composed of repeating sodium acrylate units." [] synonym: "polysodium acrylate" RELATED [SUBMITTER:] synonym: "poly(sodium acrylate)" RELATED [ChEBI:] synonym: "poly(sodiumacrylate)" RELATED [SUBMITTER:] synonym: "Sodium poly acrylate" RELATED [ChemIDplus:] synonym: "polysodiumacrylate" RELATED [SUBMITTER:] synonym: "Polyacrylate sodium salt" RELATED [ChemIDplus:] synonym: "Polyacrylic acid, sodium salt" RELATED [ChemIDplus:] synonym: "Sodium polyacrylate" RELATED [ChemIDplus:] synonym: "Poly(acrylic acid), sodium salt" RELATED [ChemIDplus:] synonym: "PNaA" RELATED [SUBMITTER:] synonym: "(C3H3NaO2)n" RELATED FORMULA [ChEBI:] xref: ChemIDplus:9003-04-7 "CAS Registry Number" xref: Gmelin:318186 "Gmelin Registry Number" xref: Gmelin:1340370 "Gmelin Registry Number" xref: Beilstein:11035392 "Beilstein Registry Number" is_a: CHEBI:38700 relationship: has_part CHEBI:68632 [Term] id: CHEBI:61365 name: poly(sodium acrylate) polymer def: "An acrylic polymer, composed of poly(sodium acrylate) macromolecules." [] synonym: "poly(sodium acrylate)" RELATED [ChEBI:] synonym: "PNaA" RELATED [ChEBI:] synonym: "polysodium acrylate" RELATED [ChEBI:] synonym: "poly(sodiumacrylate)" RELATED [ChEBI:] synonym: "Poly(acrylic acid), sodium salt" RELATED [ChEBI:] synonym: "Polyacrylic acid, sodium salt" RELATED [ChEBI:] synonym: "Polyacrylate sodium salt" RELATED [ChEBI:] synonym: "Sodium poly acrylate" RELATED [ChEBI:] synonym: "polysodiumacrylate" RELATED [ChEBI:] synonym: "Sodium polyacrylate" RELATED [ChEBI:] is_a: CHEBI:60029 is_a: CHEBI:60746 relationship: has_part CHEBI:53269 [Term] id: CHEBI:53279 name: poly(sodium styrenesulfonate) def: "A polymer composed of repeating sodium ethylbenzenesulfonate units (position of substitution not specified)." [] synonym: "sodium polystyrene sulfonates" RELATED [SUBMITTER:] synonym: "sodium polystyrenesulfonates" RELATED [SUBMITTER:] synonym: "sodium polystyrene sulfonate" RELATED [ChEBI:] synonym: "sodium poly(styrene sulfonate)s" RELATED [SUBMITTER:] synonym: "PSSNas" RELATED [SUBMITTER:] xref: Beilstein:9613947 "Beilstein Registry Number" xref: Beilstein:9613950 "Beilstein Registry Number" xref: Beilstein:9041898 "Beilstein Registry Number" xref: Beilstein:9991890 "Beilstein Registry Number" is_a: CHEBI:53270 is_a: CHEBI:38700 [Term] id: CHEBI:53280 name: poly(sodium 4-styrenesulfonate) def: "A polymer composed of repeating sodium 4-ethylbenzenesulfonate units." [] synonym: "Poly(sodium 4-styrenesulfonic acid)" RELATED [ChemIDplus:] synonym: "Poly(sodium p-vinylbenzenesulfonate)" RELATED [ChemIDplus:] synonym: "Poly(sodium 4-styrenesulfonate)" EXACT [ChemIDplus:] synonym: "Poly(sodium styrenesulfonate)" RELATED [ChemIDplus:] synonym: "poly(sodium-4-styrene sulfonate)" RELATED [SUBMITTER:] synonym: "Sodium 4-styrenesulfonate homopolymer" RELATED [ChemIDplus:] synonym: "Sodium 4-vinylbenzenesulfonate polymer" RELATED [ChemIDplus:] synonym: "PSSNa" RELATED [SUBMITTER:] synonym: "Sodium polystyrene sulfonate" RELATED [ChemIDplus:] synonym: "Poly(sodium p-styrenesulfonate)" RELATED [ChemIDplus:] synonym: "Sodium p-styrenesulfonate homopolymer" RELATED [ChemIDplus:] synonym: "(C8H7NaO3S)n" RELATED FORMULA [ChEBI:] xref: Beilstein:8475478 "Beilstein Registry Number" xref: Beilstein:8539084 "Beilstein Registry Number" xref: ChemIDplus:25704-18-1 "CAS Registry Number" is_a: CHEBI:53279 [Term] id: CHEBI:53286 name: poly(sodium 4-vinylbenzoate) def: "An organic sodium salt composed of repeating sodium ethnylbenzoate units." [] synonym: "PNaVBA" RELATED [SUBMITTER:] synonym: "poly(sodium-4-vinylbenzoate)" RELATED [SUBMITTER:] synonym: "(C9H7NaO2)n" RELATED FORMULA [ChEBI:] is_a: CHEBI:38700 relationship: has_part CHEBI:68620 [Term] id: CHEBI:53311 name: sodium alginate def: "A copolymer composed of alternating 1->4-linked sodium beta-D-mannuronate and sodium alpha-L-guluronate residues." [] synonym: "Algiline" RELATED [ChemIDplus:] synonym: "Algin" RELATED [ChemIDplus:] synonym: "Sodium Alginate" EXACT [ChemIDplus:] synonym: "Sodium polymannuronate" RELATED [ChemIDplus:] synonym: "Ascophyllum" RELATED [KEGG DRUG:] synonym: "Sodium alginate" EXACT [KEGG DRUG:] synonym: "Arcrane" RELATED [KEGG DRUG:] synonym: "(C13H18Na2O13)n" RELATED FORMULA [ChEBI:] xref: KEGG DRUG:D03336 "KEGG DRUG" xref: KEGG DRUG:9005-38-3 "CAS Registry Number" xref: Beilstein:8192365 "Beilstein Registry Number" xref: ChemIDplus:9005-38-3 "CAS Registry Number" is_a: CHEBI:38700 relationship: has_role CHEBI:50248 is_a: CHEBI:53310 relationship: has_part CHEBI:58187 [Term] id: CHEBI:53350 name: sodium 2,4-dinitrobenzenesulfonate def: "The sodium salt of 2,4-dinitrobenzenesulfonic acid." [] synonym: "Sodium 2,4-dinitrobenzenesulphonate" RELATED [ChemIDplus:] synonym: "2,4-dinitrobenzenesulfonic acid sodium salt" RELATED [ChEBI:] synonym: "DNBSO3Na" RELATED [ChEBI:] synonym: "sodium 2,4-dinitrobenzenesulfonate" EXACT IUPAC_NAME [IUPAC:] synonym: "C6H3N2NaO7S" RELATED FORMULA [ChEBI:] synonym: "[Na+].[O-][N+](=O)c1ccc(c(c1)[N+]([O-])=O)S([O-])(=O)=O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C6H4N2O7S.Na/c9-7(10)4-1-2-6(16(13,14)15)5(3-4)8(11)12;/h1-3H,(H,13,14,15);/q;+1/p-1" RELATED InChI [ChEBI:] synonym: "InChIKey=GSBYVRKLPCSLNV-UHFFFAOYSA-M" RELATED InChIKey [ChEBI:] xref: Beilstein:6676807 "Beilstein Registry Number" xref: ChemIDplus:885-62-1 "CAS Registry Number" xref: CiteXplore:342294 "PubMed citation" is_a: CHEBI:38700 relationship: has_part CHEBI:53069 [Term] id: CHEBI:3481 name: cefamandole nafate def: "A cephalosporin prodrug having (R)-O-formylmandelamido and N-methylthiotetrazole side groups." [] synonym: "O-Formylcefamandole sodium" RELATED [ChEBI:] synonym: "sodium 7beta-[(2R)-2-(formyloxy)-2-phenylacetamido]-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}ceph-3-em-4-carboxylate" EXACT IUPAC_NAME [IUPAC:] synonym: "sodium (6R,7R)-7-{[(2R)-2-(formyloxy)-2-phenylacetyl]amino}-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate" RELATED [IUPAC:] synonym: "Cephamandole nafate" RELATED [ChemIDplus:] synonym: "Cefamandol nafato" RELATED [ChemIDplus:] synonym: "C19H17N6NaO6S2" RELATED FORMULA [ChEBI:] synonym: "C19H17N6O6S2.Na" RELATED FORMULA [KEGG COMPOUND:] synonym: "[Na+].[H]C(=O)O[C@@H](C(=O)N[C@@H]1C(=O)N2C(C([O-])=O)=C(CSc3nnnn3C)CS[C@]12[H])c1ccccc1" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C19H18N6O6S2.Na/c1-24-19(21-22-23-24)33-8-11-7-32-17-12(16(28)25(17)13(11)18(29)30)20-15(27)14(31-9-26)10-5-3-2-4-6-10;/h2-6,9,12,14,17H,7-8H2,1H3,(H,20,27)(H,29,30);/q;+1/p-1/t12-,14-,17-;/m1./s1" RELATED InChI [ChEBI:] synonym: "InChIKey=ICZOIXFFVKYXOM-YCLOEFEOSA-M" RELATED InChIKey [ChEBI:] xref: KEGG COMPOUND:C08102 "KEGG COMPOUND" xref: ChemIDplus:42540-40-9 "CAS Registry Number" xref: Beilstein:5403938 "Beilstein Registry Number" xref: KEGG COMPOUND:42540-40-9 "CAS Registry Number" xref: KEGG DRUG:42540-40-9 "CAS Registry Number" xref: DrugBank:DB01326 "DrugBank" xref: KEGG DRUG:D00909 "KEGG DRUG" is_a: CHEBI:38700 relationship: has_role CHEBI:50266 relationship: has_role CHEBI:36047 relationship: has_part CHEBI:73088 [Term] id: CHEBI:3483 name: cefazolin sodium def: "A cephalosporin sodium salt having [(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl and (1H-tetrazol-1-ylacetyl)amino side groups." [] synonym: "Cefazoline sodium" RELATED [ChemIDplus:] synonym: "Sodium cefazolin" RELATED [ChemIDplus:] synonym: "Monosodium cefazolin" RELATED [ChemIDplus:] synonym: "Sodium cephazolin" RELATED [ChemIDplus:] synonym: "Cefazolin sodium salt" RELATED [ChEBI:] synonym: "sodium (6R,7R)-3-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-8-oxo-7-[(1H-tetrazol-1-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate" RELATED [IUPAC:] synonym: "sodium 3-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-7beta-[(1H-tetrazol-1-ylacetyl)amino]-3,4-didehydrocepham-4-carboxylate" EXACT IUPAC_NAME [IUPAC:] synonym: "C14H13N8O4S3.Na" RELATED FORMULA [KEGG DRUG:] synonym: "C14H13N8NaO4S3" RELATED FORMULA [ChEBI:] synonym: "[Na+].[H][C@]12SCC(CSc3nnc(C)s3)=C(N1C(=O)[C@H]2NC(=O)Cn1cnnn1)C([O-])=O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C14H14N8O4S3.Na/c1-6-17-18-14(29-6)28-4-7-3-27-12-9(11(24)22(12)10(7)13(25)26)16-8(23)2-21-5-15-19-20-21;/h5,9,12H,2-4H2,1H3,(H,16,23)(H,25,26);/q;+1/p-1/t9-,12-;/m1./s1" RELATED InChI [ChEBI:] synonym: "InChIKey=FLKYBGKDCCEQQM-WYUVZMMLSA-M" RELATED InChIKey [ChEBI:] xref: KEGG DRUG:27164-46-1 "CAS Registry Number" xref: DrugBank:DB01327 "DrugBank" xref: KEGG DRUG:D00905 "KEGG DRUG" xref: CiteXplore:12569987 "PubMed citation" xref: Beilstein:4229326 "Beilstein Registry Number" xref: ChemIDplus:27164-46-1 "CAS Registry Number" is_a: CHEBI:38700 relationship: has_part CHEBI:53657 [Term] id: CHEBI:3498 name: cefotaxime sodium def: "A cephalosporin sodium salt having acetoxymethyl and [2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino side groups." [] synonym: "sodium 3-(acetoxymethyl)-7beta-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-3,4-didehydrocepham-4-carboxylate" EXACT IUPAC_NAME [IUPAC:] synonym: "sodium (6R,7R)-3-(acetoxymethyl)-7-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate" RELATED [IUPAC:] synonym: "Cefotaxime" RELATED [ChemIDplus:] synonym: "Sodium 7-(2-(2-amino-4-thiazolyl)-2-methoxyiminoacetamido)cephalosporanate" RELATED [ChemIDplus:] synonym: "(+)-Cefotaxime sodium salt" RELATED [ChemIDplus:] synonym: "CTX" RELATED [KEGG DRUG:] synonym: "Sodium cefotaxime" RELATED [ChemIDplus:] synonym: "C16H16N5NaO7S2" RELATED FORMULA [ChEBI:] synonym: "C16H16N5O7S2.Na" RELATED FORMULA [KEGG DRUG:] synonym: "[Na+].[H][C@]12SCC(COC(C)=O)=C(N1C(=O)[C@H]2NC(=O)C(=N/OC)\\c1csc(N)n1)C([O-])=O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C16H17N5O7S2.Na/c1-6(22)28-3-7-4-29-14-10(13(24)21(14)11(7)15(25)26)19-12(23)9(20-27-2)8-5-30-16(17)18-8;/h5,10,14H,3-4H2,1-2H3,(H2,17,18)(H,19,23)(H,25,26);/q;+1/p-1/b20-9-;/t10-,14-;/m1./s1" RELATED InChI [ChEBI:] synonym: "InChIKey=AZZMGZXNTDTSME-JUZDKLSSSA-M" RELATED InChIKey [ChEBI:] xref: KEGG COMPOUND:C08113 "KEGG COMPOUND" xref: Gmelin:1804247 "Gmelin Registry Number" xref: Beilstein:8181277 "Beilstein Registry Number" xref: KEGG DRUG:D00919 "KEGG DRUG" xref: ChemIDplus:64485-93-4 "CAS Registry Number" xref: KEGG COMPOUND:64485-93-4 "CAS Registry Number" xref: DrugBank:DB00493 "DrugBank" xref: KEGG DRUG:64485-93-4 "CAS Registry Number" is_a: CHEBI:38700 relationship: has_part CHEBI:53670 [Term] id: CHEBI:53675 name: ceftazidime sodium def: "A cephalosporin sodium salt having 7beta-[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-{[(2-carboxypropan-2-yl)oxy]imino}acetyl]amino and 3-pyridinium-1-ylmethyl side groups." [] synonym: "sodium 7beta-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-{[(2-carboxylatopropan-2-yl)oxy]imino}acetyl]amino}-3-(pyridinium-1-ylmethyl)-3,4-didehydrocepham-4-carboxylate" EXACT IUPAC_NAME [IUPAC:] synonym: "sodium (6R,7R)-7-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-{[(2-carboxylatopropan-2-yl)oxy]imino}acetyl]amino}-8-oxo-3-(pyridinium-1-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate" RELATED [IUPAC:] synonym: "C22H21N6NaO7S2" RELATED FORMULA [ChEBI:] synonym: "C22H21N6O7S2.Na" RELATED FORMULA [ChEBI:] synonym: "[Na+].[H][C@]12SCC(C[n+]3ccccc3)=C(N1C(=O)[C@H]2NC(=O)C(=N/OC(C)(C)C([O-])=O)\\c1csc(N)n1)C([O-])=O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C22H22N6O7S2.Na/c1-22(2,20(33)34)35-26-13(12-10-37-21(23)24-12)16(29)25-14-17(30)28-15(19(31)32)11(9-36-18(14)28)8-27-6-4-3-5-7-27;/h3-7,10,14,18H,8-9H2,1-2H3,(H4-,23,24,25,29,31,32,33,34);/q;+1/p-1/b26-13-;/t14-,18-;/m1./s1" RELATED InChI [ChEBI:] synonym: "InChIKey=JEEWDSDYUSEQML-ROMZVAKDSA-M" RELATED InChIKey [ChEBI:] xref: Beilstein:6629703 "Beilstein Registry Number" xref: ChemIDplus:73547-61-2 "CAS Registry Number" xref: DrugBank:DB00438 "DrugBank" xref: Gmelin:1804880 "Gmelin Registry Number" is_a: CHEBI:38700 relationship: has_part CHEBI:3508 [Term] id: CHEBI:53692 name: sodium amidotrizoate alt_id: CHEBI:4493 def: "The sodium salt of a benzoic acid having iodo substituents at the 2-, 4- and 6-positions and acetamido substituents at the 3- and 5-positions. It is used, often as a mixture with the meglumine salt, as an X-ray contrast medium in gastrointestinal studies, angiography, and urography." [] synonym: "Diatrizoate sodium" RELATED [KEGG DRUG:] synonym: "sodium amidotrizoate" RELATED INN [KEGG DRUG:] synonym: "Sodium diacetyldiaminetriiodobenzoate" RELATED [ChEBI:] synonym: "3,5-Diacetylamino-2,4,6-trijodbenzosaeure natrium" RELATED [ChemIDplus:] synonym: "amidotrizoato sodico" RELATED INN [ChemIDplus:] synonym: "Diatriazoate" RELATED [DrugBank:] synonym: "Diatrizoate sodium salt" RELATED [ChemIDplus:] synonym: "Amidotrizoate" RELATED [DrugBank:] synonym: "Monosodium 3,5-diacetamido-2,4,6-triiodobenzoate" RELATED [ChemIDplus:] synonym: "natrii amidotrizoas" RELATED INN [ChemIDplus:] synonym: "amidotrizoate de sodium" RELATED INN [ChemIDplus:] synonym: "Diatrizoic acid sodium salt" RELATED [ChemIDplus:] synonym: "Sodium Diatrizoate" RELATED [ChemIDplus:] synonym: "sodium 3,5-diacetamido-2,4,6-triiodobenzoate" EXACT IUPAC_NAME [IUPAC:] synonym: "C11H8I3N2NaO4" RELATED FORMULA [ChEBI:] synonym: "[Na+].CC(=O)Nc1c(I)c(NC(C)=O)c(I)c(C([O-])=O)c1I" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C11H9I3N2O4.Na/c1-3(17)15-9-6(12)5(11(19)20)7(13)10(8(9)14)16-4(2)18;/h1-2H3,(H,15,17)(H,16,18)(H,19,20);/q;+1/p-1" RELATED InChI [ChEBI:] synonym: "InChIKey=ZEYOIOAKZLALAP-UHFFFAOYSA-M" RELATED InChIKey [ChEBI:] xref: DrugBank:DB00271 "DrugBank" xref: KEGG DRUG:D01013 "KEGG DRUG" xref: ChemIDplus:737-31-5 "CAS Registry Number" xref: Beilstein:4082984 "Beilstein Registry Number" xref: KEGG DRUG:737-31-5 "CAS Registry Number" is_a: CHEBI:37142 relationship: has_role CHEBI:37338 is_a: CHEBI:38700 relationship: has_part CHEBI:59731 [Term] id: CHEBI:53696 name: disodium L-tyrosinate def: "The disodium salt of L-tyrosine." [] synonym: "L-Tyrosine sodium salt (1:2)" RELATED [ChemIDplus:] synonym: "L-Tyrosine disodium salt" RELATED [ChemIDplus:] synonym: "disodium L-tyrosinate" EXACT IUPAC_NAME [IUPAC:] synonym: "C9H9NNa2O3" RELATED FORMULA [ChEBI:] synonym: "[Na+].[Na+].N[C@@H](Cc1ccc([O-])cc1)C([O-])=O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C9H11NO3.2Na/c10-8(9(12)13)5-6-1-3-7(11)4-2-6;;/h1-4,8,11H,5,10H2,(H,12,13);;/q;2*+1/p-2/t8-;;/m0../s1" RELATED InChI [ChEBI:] synonym: "InChIKey=ASIYFCYUCMQNGK-JZGIKJSDSA-L" RELATED InChIKey [ChEBI:] xref: Beilstein:9523689 "Beilstein Registry Number" xref: ChemIDplus:69847-45-6 "CAS Registry Number" xref: CiteXplore:15206581 "PubMed citation" is_a: CHEBI:38700 relationship: has_part CHEBI:32761 [Term] id: CHEBI:53730 name: remazole orange-3R def: "An azo dye having a ({[(2-sulfonatooxy)ethyl]sulfonyl}phenyl)diazenyl moiety attached at position 2 of a multi-substituted naphthalene." [] synonym: "disodium 6-acetamido-4-hydroxy-3-[(4-{[2-(sulfonatooxy)ethyl]sulfonyl}phenyl)diazenyl]naphthalene-2-sulfonate" EXACT IUPAC_NAME [IUPAC:] synonym: "Brilliant orange 3R" RELATED [ChemIDplus:] synonym: "C20H17N3Na2O11S3" RELATED FORMULA [ChEBI:] synonym: "[Na+].[Na+].CC(=O)Nc1ccc2cc(c(\\N=N\\c3ccc(cc3)S(=O)(=O)CCOS([O-])(=O)=O)c(O)c2c1)S([O-])(=O)=O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C20H19N3O11S3.2Na/c1-12(24)21-15-3-2-13-10-18(36(28,29)30)19(20(25)17(13)11-15)23-22-14-4-6-16(7-5-14)35(26,27)9-8-34-37(31,32)33;;/h2-7,10-11,25H,8-9H2,1H3,(H,21,24)(H,28,29,30)(H,31,32,33);;/q;2*+1/p-2/b23-22+;;" RELATED InChI [ChEBI:] synonym: "InChIKey=DHHGSXPASZBLGC-VPMNAVQSSA-L" RELATED InChIKey [ChEBI:] xref: CiteXplore:11696055 "PubMed citation" xref: ChemIDplus:20262-58-2 "CAS Registry Number" xref: Beilstein:8819776 "Beilstein Registry Number" is_a: CHEBI:37533 is_a: CHEBI:35850 is_a: CHEBI:38700 relationship: has_role CHEBI:37958 relationship: has_part CHEBI:53733 [Term] id: CHEBI:53731 name: remazole black-GR def: "A bis(azo) compound with two aryldiazenyl moieties placed at positions 2 and 7 of a multi-substituted naphthalene." [] synonym: "Remazol Black GF" RELATED [ChemIDplus:] synonym: "Reactive Black 5" RELATED [ChemIDplus:] synonym: "tetrasodium 4-amino-5-hydroxy-3,6-bis[(4-{[2-(sulfonatooxy)ethyl]sulfonyl}phenyl)diazenyl]naphthalene-2,7-disulfonate" EXACT IUPAC_NAME [IUPAC:] synonym: "Remazol black B" RELATED [ChemIDplus:] synonym: "C26H21N5Na4O19S6" RELATED FORMULA [ChEBI:] synonym: "[Na+].[Na+].[Na+].[Na+].Nc1c(\\N=N\\c2ccc(cc2)S(=O)(=O)CCOS([O-])(=O)=O)c(cc2cc(c(\\N=N\\c3ccc(cc3)S(=O)(=O)CCOS([O-])(=O)=O)c(O)c12)S([O-])(=O)=O)S([O-])(=O)=O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C26H25N5O19S6.4Na/c27-23-22-15(13-20(53(37,38)39)24(23)30-28-16-1-5-18(6-2-16)51(33,34)11-9-49-55(43,44)45)14-21(54(40,41)42)25(26(22)32)31-29-17-3-7-19(8-4-17)52(35,36)12-10-50-56(46,47)48;;;;/h1-8,13-14,32H,9-12,27H2,(H,37,38,39)(H,40,41,42)(H,43,44,45)(H,46,47,48);;;;/q;4*+1/p-4/b30-28+,31-29+;;;;" RELATED InChI [ChEBI:] synonym: "InChIKey=HFIYIRIMGZMCPC-YOLJWEMLSA-J" RELATED InChIKey [ChEBI:] xref: ChemIDplus:17095-24-8 "CAS Registry Number" xref: CiteXplore:11696055 "PubMed citation" xref: CiteXplore:9819302 "PubMed citation" xref: Beilstein:8184406 "Beilstein Registry Number" is_a: CHEBI:48960 is_a: CHEBI:35850 is_a: CHEBI:38700 relationship: has_role CHEBI:37958 relationship: has_part CHEBI:53734 [Term] id: CHEBI:53767 name: chloramine T def: "Sodium salt derivative of toluene-4-sulfonamide with a chloro- substituent in place of an amino hydrogen." [] synonym: "Chlorazene" RELATED [ChemIDplus:] synonym: "Sodium p-toluenesulfonylchloramide" RELATED [ChemIDplus:] synonym: "Tampules" RELATED [ChemIDplus:] synonym: "Chlorina Aktivin" RELATED [ChemIDplus:] synonym: "Monochloramine T" RELATED [ChemIDplus:] synonym: "Tosylchloramide sodique" RELATED [ChemIDplus:] synonym: "Chlorazan" RELATED [ChemIDplus:] synonym: "Chlorseptol" RELATED [ChemIDplus:] synonym: "Multichlor" RELATED [ChemIDplus:] synonym: "Chloraseptine" RELATED [ChemIDplus:] synonym: "Tosylchloramidum natricum" RELATED [ChemIDplus:] synonym: "Heliogen" RELATED [ChemIDplus:] synonym: "Chloramine-t" RELATED [NIST Chemistry WebBook:] synonym: "Acti-chlore" RELATED [ChemIDplus:] synonym: "Chlorosol" RELATED [ChemIDplus:] synonym: "sodium chloro[(4-methylphenyl)sulfonyl]azanide" EXACT IUPAC_NAME [IUPAC:] synonym: "Tochlorine" RELATED [ChemIDplus:] synonym: "Chlorasan" RELATED [ChemIDplus:] synonym: "Chlorozone" RELATED [ChemIDplus:] synonym: "Sodium tosylchloramide" RELATED [ChemIDplus:] synonym: "Chloramine-T" RELATED [ChemIDplus:] synonym: "Chloralone" RELATED [ChemIDplus:] synonym: "Mannolite" RELATED [ChemIDplus:] synonym: "Sodium N-chloro-p-toluenesulfonamide" RELATED [ChemIDplus:] synonym: "Sodium chloramine T" RELATED [ChemIDplus:] synonym: "Sodium p-toluenesulfonchloramide" RELATED [ChemIDplus:] synonym: "Tosilcloramida sodica" RELATED [ChemIDplus:] synonym: "Tolamine" RELATED [ChemIDplus:] synonym: "(N-Chloro-p-toluenesulfonamido)sodium" RELATED [ChemIDplus:] synonym: "Chlorazone" RELATED [ChemIDplus:] synonym: "N-Chloro-p-toluenesulfonamide sodium" RELATED [ChemIDplus:] synonym: "C7H7ClNNaO2S" RELATED FORMULA [ChEBI:] synonym: "[Na+].Cc1ccc(cc1)S(=O)(=O)[N-]Cl" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C7H7ClNO2S.Na/c1-6-2-4-7(5-3-6)12(10,11)9-8;/h2-5H,1H3;/q-1;+1" RELATED InChI [ChEBI:] synonym: "InChIKey=VDQQXEISLMTGAB-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: ChemIDplus:127-65-1 "CAS Registry Number" xref: Beilstein:3599375 "Beilstein Registry Number" xref: CiteXplore:2758361 "PubMed citation" xref: NIST Chemistry WebBook:127-65-1 "CAS Registry Number" is_a: CHEBI:38700 relationship: has_part CHEBI:53787 relationship: has_role CHEBI:51076 relationship: has_role CHEBI:48219 [Term] id: CHEBI:31204 name: sodium p-aminohippurate def: "An organic sodium salt that os the monosodium salt of p-aminohippuric acid." [] synonym: "Monosodium p-aminohippurate" RELATED [ChemIDplus:] synonym: "p-Aminohippuric acid sodium salt" RELATED [ChemIDplus:] synonym: "sodium [(4-aminobenzoyl)amino]acetate" RELATED [IUPAC:] synonym: "PAH" RELATED [DrugBank:] synonym: "sodium N-(4-aminobenzoyl)glycinate" EXACT IUPAC_NAME [IUPAC:] synonym: "Aminohippurate sodium" RELATED [KEGG DRUG:] synonym: "Paraaminohippurate" RELATED [KEGG DRUG:] synonym: "4-Aminohippursaeure natriumsalz" RELATED [ChemIDplus:] synonym: "sodium 4-aminohippurate" RELATED [ChEBI:] synonym: "Sodium para-Aminohippurate" RELATED [DrugBank:] synonym: "Natrium 4-aminohippurat" RELATED [ChEBI:] synonym: "p-Aminohippurate sodium" RELATED [KEGG DRUG:] synonym: "Aminohippuric acid Sodium salt" RELATED [DrugBank:] synonym: "N-(4-Aminobenzoyl)glycine monosodium salt" RELATED [ChemIDplus:] synonym: "C9H9N2NaO3" RELATED FORMULA [KEGG DRUG:] synonym: "[Na+].Nc1ccc(cc1)C(=O)NCC([O-])=O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C9H10N2O3.Na/c10-7-3-1-6(2-4-7)9(14)11-5-8(12)13;/h1-4H,5,10H2,(H,11,14)(H,12,13);/q;+1/p-1" RELATED InChI [ChEBI:] synonym: "InChIKey=UNZMYCAEMNVPHX-UHFFFAOYSA-M" RELATED InChIKey [ChEBI:] xref: DrugBank:DB00345 "DrugBank" xref: KEGG DRUG:D01421 "KEGG DRUG" xref: KEGG DRUG:94-16-6 "CAS Registry Number" xref: ChemIDplus:94-16-6 "CAS Registry Number" xref: Beilstein:10732978 "Beilstein Registry Number" xref: DrugBank:94-16-6 "CAS Registry Number" is_a: CHEBI:38700 relationship: has_role CHEBI:33295 relationship: has_part CHEBI:64703 [Term] id: CHEBI:55387 name: monosodium acetylide def: "The salt formed from the acetylide monoanion and a single sodium cation." [] synonym: "sodium ethynide" EXACT IUPAC_NAME [IUPAC:] synonym: "C2HNa" RELATED FORMULA [ChEBI:] synonym: "[Na+].C#[C-]" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C2H.Na/c1-2;/h1H;/q-1;+1" RELATED InChI [ChEBI:] synonym: "InChIKey=SFDZETWZUCDYMD-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: ChemIDplus:1066-26-8 "CAS Registry Number" xref: Gmelin:174471 "Gmelin Registry Number" is_a: CHEBI:55386 is_a: CHEBI:38700 relationship: has_part CHEBI:55390 [Term] id: CHEBI:55388 name: disodium acetylide def: "The salt formed from the acetylide dianion and two sodium cations." [] synonym: "disodium ethynediide" EXACT IUPAC_NAME [IUPAC:] synonym: "C2Na2" RELATED FORMULA [ChEBI:] synonym: "[Na+].[Na+].[C-]#[C-]" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C2.2Na/c1-2;;/q-2;2*+1" RELATED InChI [ChEBI:] synonym: "InChIKey=WAJKHNTVDCZXPH-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: Beilstein:3674825 "Beilstein Registry Number" is_a: CHEBI:55386 is_a: CHEBI:38700 relationship: has_part CHEBI:30081 [Term] id: CHEBI:31363 name: carumonam sodium def: "The disodium salt of carumonam." [] synonym: "Carumonam sodium" EXACT [KEGG COMPOUND:] synonym: "Carumonam disodium salt" RELATED [ChemIDplus:] synonym: "disodium ({[(1Z)-1-(2-amino-1,3-thiazol-4-yl)-2-({(2S,3S)-2-[(carbamoyloxy)methyl]-4-oxo-1-sulfonatoazetidin-3-yl}amino)-2-oxoethylidene]amino}oxy)acetate" EXACT IUPAC_NAME [IUPAC:] synonym: "C12H12N6O10S2.2Na" RELATED FORMULA [KEGG COMPOUND:] synonym: "C12H12N6Na2O10S2" RELATED FORMULA [ChEBI:] synonym: "[Na+].[Na+].NC(=O)OC[C@@H]1[C@H](NC(=O)C(=N/OCC([O-])=O)\\c2csc(N)n2)C(=O)N1S([O-])(=O)=O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C12H14N6O10S2.2Na/c13-11-15-4(3-29-11)7(17-28-2-6(19)20)9(21)16-8-5(1-27-12(14)23)18(10(8)22)30(24,25)26;;/h3,5,8H,1-2H2,(H2,13,15)(H2,14,23)(H,16,21)(H,19,20)(H,24,25,26);;/q;2*+1/p-2/b17-7-;;/t5-,8+;;/m1../s1" RELATED InChI [ChEBI:] synonym: "InChIKey=BGGXRVPCJUKHTQ-AHCAJXDVSA-L" RELATED InChIKey [ChEBI:] xref: KEGG DRUG:D01560 "KEGG DRUG" xref: KEGG COMPOUND:86832-68-0 "CAS Registry Number" xref: KEGG COMPOUND:C13016 "KEGG COMPOUND" xref: ChemIDplus:86832-68-0 "CAS Registry Number" is_a: CHEBI:38700 relationship: has_part CHEBI:55492 [Term] id: CHEBI:31384 name: cefuzonam sodium def: "The sodium salt of cefuzonam." [] synonym: "sodium (6R,7R)-7-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-8-oxo-3-[(1,2,3-thiadiazol-5-ylsulfanyl)methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate" EXACT IUPAC_NAME [IUPAC:] synonym: "sodium 7beta-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-3-[(1,2,3-thiadiazol-5-ylsulfanyl)methyl]-3,4-didehydrocepham-4-carboxylate" EXACT IUPAC_NAME [IUPAC:] synonym: "CZON" RELATED [ChemIDplus:] synonym: "cefzoname sodium" RELATED [ChemIDplus:] synonym: "C16H14N7O5S4.Na" RELATED FORMULA [KEGG DRUG:] synonym: "C16H14N7NaO5S4" RELATED FORMULA [ChEBI:] synonym: "[Na+].[H][C@]12SCC(CSc3cnns3)=C(N1C(=O)[C@H]2NC(=O)C(=N/OC)\\c1csc(N)n1)C([O-])=O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C16H15N7O5S4.Na/c1-28-21-9(7-5-31-16(17)19-7)12(24)20-10-13(25)23-11(15(26)27)6(4-30-14(10)23)3-29-8-2-18-22-32-8;/h2,5,10,14H,3-4H2,1H3,(H2,17,19)(H,20,24)(H,26,27);/q;+1/p-1/b21-9-;/t10-,14-;/m1./s1" RELATED InChI [ChEBI:] synonym: "InChIKey=BCMSQWPLFBUUKW-IXLPVNPSSA-M" RELATED InChIKey [ChEBI:] xref: KEGG DRUG:D01687 "KEGG DRUG" xref: ChemIDplus:82219-81-6 "CAS Registry Number" is_a: CHEBI:38700 relationship: has_part CHEBI:55494 [Term] id: CHEBI:3512 name: ceftizoxime sodium def: "The sodium salt of ceftizoxime." [] synonym: "CZX" RELATED [KEGG DRUG:] synonym: "Ceftizoxime sodium" EXACT [KEGG COMPOUND:] synonym: "Ceftizoxim-natrium" RELATED [ChemIDplus:] synonym: "sodium 7beta-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-2,3-didehydropenam-2-carboxylate" EXACT IUPAC_NAME [IUPAC:] synonym: "C13H12N5O5S2.Na" RELATED FORMULA [KEGG COMPOUND:] synonym: "C13H12N5NaO5S2" RELATED FORMULA [ChEBI:] synonym: "[Na+].[H][C@]12SCC=C(N1C(=O)[C@H]2NC(=O)C(=N/OC)\\c1csc(N)n1)C([O-])=O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C13H13N5O5S2.Na/c1-23-17-7(5-4-25-13(14)15-5)9(19)16-8-10(20)18-6(12(21)22)2-3-24-11(8)18;/h2,4,8,11H,3H2,1H3,(H2,14,15)(H,16,19)(H,21,22);/q;+1/p-1/b17-7-;/t8-,11-;/m1./s1" RELATED InChI [ChEBI:] synonym: "InChIKey=ADLFUPFRVXCDMO-LIGXYSTNSA-M" RELATED InChIKey [ChEBI:] xref: KEGG COMPOUND:C08118 "KEGG COMPOUND" xref: KEGG DRUG:D00923 "KEGG DRUG" xref: ChemIDplus:68401-82-1 "CAS Registry Number" xref: KEGG COMPOUND:68401-82-1 "CAS Registry Number" xref: Beilstein:8464032 "Beilstein Registry Number" is_a: CHEBI:38700 relationship: has_part CHEBI:55498 [Term] id: CHEBI:59033 name: metamizole sodium def: "The sodium salt of antipyrine substituted at C-4 by a methyl(sulfonatomethyl)amino group, commonly used as a powerful analgesic and antipyretic." [] synonym: "meamizol sodico" RELATED INN [DrugBank:] synonym: "Novalgin" RELATED [ChemIDplus:] synonym: "Methylmelubrin" RELATED [ChemIDplus:] synonym: "Mexican aspirin" RELATED [ChEBI:] synonym: "aminopyrine sodium sulfonate" RELATED [NIST Chemistry WebBook:] synonym: "dipyrone [anhydrous]" RELATED [NIST Chemistry WebBook:] synonym: "Sulpyrine" RELATED [ChemIDplus:] synonym: "Analgin" RELATED [ChemIDplus:] synonym: "Vetalgin" RELATED BRAND_NAME [KEGG DRUG:] synonym: "Algocalmin" RELATED [ChemIDplus:] synonym: "Analgin (sodium salt)" RELATED [ChEBI:] synonym: "metamizole sodium" RELATED INN [WHO MedNet:] synonym: "sodium [(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)(methyl)amino]methanesulfonate" EXACT IUPAC_NAME [IUPAC:] synonym: "Dipyrone" RELATED [DrugBank:] synonym: "Noraminophenazone methanesulfonate sodium salt" RELATED [ChemIDplus:] synonym: "metamizole sodique" RELATED INN [DrugBank:] synonym: "Methampyrone" RELATED [ChemIDplus:] synonym: "Sodium (antipyrinylmethylamino)methanesulfonate" RELATED [ChemIDplus:] synonym: "Neomelurbrin" RELATED [ChemIDplus:] synonym: "Sodium methylaminoantipyrine methanesulfonate" RELATED [ChemIDplus:] synonym: "metamizolum natricum" RELATED INN [DrugBank:] synonym: "Sodium noramidopyrine methanesulfonate" RELATED [ChemIDplus:] synonym: "Noraminophenazone sodium mesylate" RELATED [ChemIDplus:] synonym: "C13H16N3NaO4S" RELATED FORMULA [ChEBI:] synonym: "[Na+].CN(CS([O-])(=O)=O)c1c(C)n(C)n(-c2ccccc2)c1=O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C13H17N3O4S.Na/c1-10-12(14(2)9-21(18,19)20)13(17)16(15(10)3)11-7-5-4-6-8-11;/h4-8H,9H2,1-3H3,(H,18,19,20);/q;+1/p-1" RELATED InChI [ChEBI:] synonym: "InChIKey=DJGAAPFSPWAYTJ-UHFFFAOYSA-M" RELATED InChIKey [ChEBI:] xref: CiteXplore:3044874 "PubMed citation" xref: Wikipedia:Metamizole "Wikipedia" xref: CiteXplore:15137974 "PubMed citation" xref: CiteXplore:15851637 "PubMed citation" xref: CiteXplore:3425858 "PubMed citation" xref: CiteXplore:21446784 "PubMed citation" xref: ChemIDplus:68-89-3 "CAS Registry Number" xref: Reaxys:3643594 "Reaxys Registry Number" xref: NIST Chemistry WebBook:68-89-3 "CAS Registry Number" xref: CiteXplore:15012736 "PubMed citation" xref: CiteXplore:17435797 "PubMed citation" xref: KEGG DRUG:D08190 "KEGG DRUG" xref: DrugBank:DB04817 "DrugBank" is_a: CHEBI:26410 is_a: CHEBI:38700 relationship: has_role CHEBI:35475 relationship: has_role CHEBI:35481 relationship: has_role CHEBI:35842 relationship: has_role CHEBI:49110 relationship: has_role CHEBI:35493 relationship: has_functional_parent CHEBI:31225 relationship: has_part CHEBI:62086 relationship: has_role CHEBI:50266 relationship: has_role CHEBI:73263 [Term] id: CHEBI:128458 name: disodium cromoglycate alt_id: CHEBI:3922 alt_id: CHEBI:3923 alt_id: CHEBI:106480 def: "The disodium salt of cromoglycic acid." [] synonym: "Disodium 5,5'-((2-hydroxytrimethylene)bis(oxy))bis(4-oxo-4H-1-benzopyran-2-carboxylate)" RELATED [ChemIDplus:] synonym: "cromoglicic acid" RELATED INN [KEGG DRUG:] synonym: "5-{3-[(2-carboxy-4-oxo-4H-chromen-6-yl)oxy]-2-hydroxypropoxy}-4-oxo-4H-chromene-2-carboxylic acid" EXACT IUPAC_NAME [IUPAC:] synonym: "Sodium cromolyn" RELATED [ChemIDplus:] synonym: "1,3-Di(2-carboxy-4-oxochromen-5-yloxy)propan-2-ol" RELATED [ChemIDplus:] synonym: "Cromolyn sodium" RELATED [KEGG DRUG:] synonym: "Dinatrium salz von 1,3-bis-(2-carboxychromon-5-yloxy)-2-hydroxypropan" RELATED [ChemIDplus:] synonym: "disodium 5,5'-[(2-hydroxypropane-1,3-diyl)bis(oxy)]bis(4-oxo-4H-chromene-2-carboxylate)" EXACT IUPAC_NAME [IUPAC:] synonym: "5,5'-(2-Hydroxytrimethylenedioxy)bis(4-oxochromene-2-carboxylic acid)" RELATED [ChemIDplus:] synonym: "Sodium cromoglicate" RELATED [KEGG DRUG:] synonym: "Cromoglycate disodium" RELATED [ChemIDplus:] synonym: "1,3-Bis(2-carboxychromon-5-yloxy)-2-hydroxypropane" RELATED [ChemIDplus:] synonym: "Sodium cromoglycate" RELATED [ChemIDplus:] synonym: "Cromolyn" RELATED [KEGG COMPOUND:] synonym: "Cromoglicic acid" RELATED [ChemIDplus:] synonym: "Natrium cromoglicat" RELATED [ChemIDplus:] synonym: "disodium cromoglycate" EXACT [ChEMBL:] synonym: "5-{3-[(2-carboxy-4-oxo-4H-chromen-5-yl)oxy]-2-hydroxypropoxy}-4-oxo-4H-chromene-2-carboxylic acid" RELATED [ChEMBL:] synonym: "Sodium salt of 5-[3-(2-carboxy-4-oxo-4H-5-chromenyloxy)-2-hydroxypropoxy]-4-oxo-4H-2-chromenecarboxylic acid" RELATED [ChEMBL:] synonym: "FPL-670" RELATED [ChEMBL:] synonym: "DSCG" RELATED [ChEMBL:] synonym: "disodium 5-{3-[(2-carboxylato-4-oxo-4H-chromen-5-yl)oxy]-2-hydroxypropoxy}-4-oxo-4H-chromene-2-carboxylate" RELATED [ChEMBL:] synonym: "disodium 5-[3-(2-carboxylato-4-oxo-4H-5-chromenyloxy)-2-hydroxypropoxy]-4-oxo-4H-2-chromenecarboxylate" RELATED [ChEMBL:] synonym: "C23H14Na2O11" RELATED FORMULA [ChEBI:] synonym: "[Na+].[Na+].OC(COc1cccc2oc(cc(=O)c12)C([O-])=O)COc1cccc2oc(cc(=O)c12)C([O-])=O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C23H16O11.2Na/c24-11(9-31-14-3-1-5-16-20(14)12(25)7-18(33-16)22(27)28)10-32-15-4-2-6-17-21(15)13(26)8-19(34-17)23(29)30;;/h1-8,11,24H,9-10H2,(H,27,28)(H,29,30);;/q;2*+1/p-2" RELATED InChI [ChEBI:] synonym: "InChIKey=VLARUOGDXDTHEH-UHFFFAOYSA-L" RELATED InChIKey [ChEBI:] xref: KEGG DRUG:D00526 "KEGG DRUG" xref: KEGG DRUG:15826-37-6 "CAS Registry Number" xref: Beilstein:3647577 "Beilstein Registry Number" xref: ChemIDplus:16110-51-3 "CAS Registry Number" xref: CiteXplore:3128591 "PubMed citation" xref: ChemIDplus:15826-37-6 "CAS Registry Number" xref: KEGG COMPOUND:16110-51-3 "CAS Registry Number" xref: DrugBank:DB01003 "DrugBank" xref: KEGG DRUG:D07753 "KEGG DRUG" is_a: CHEBI:38700 relationship: has_role CHEBI:49167 relationship: has_part CHEBI:59039 [Term] id: CHEBI:9405 name: tartrazine def: "An organic sodium salt which is the trisodium salt of tartrazine acid. A synthetic lemon yellow azo dye used as a food colouring." [] synonym: "trisodium 5-oxo-1-(4-sulfonatophenyl)-4-[(E)-(4-sulfonatophenyl)diazenyl]-4,5-dihydro-1H-pyrazole-3-carboxylate" EXACT IUPAC_NAME [IUPAC:] synonym: "FD & C Yellow no. 5" RELATED [ChemIDplus:] synonym: "Acid yellow 23" RELATED [ChemIDplus:] synonym: "Tartrazine" EXACT [KEGG COMPOUND:] synonym: "CI 19140" RELATED [ChemIDplus:] synonym: "4,5-Dihydro-5-oxo-1-(4-sulfophenyl)-4-((4-sulfophenyl)azo)-1H-pyrazole-3-carboxylic acid, trisodium salt" RELATED [ChemIDplus:] synonym: "C16H9N4O9S2.3Na" RELATED FORMULA [KEGG COMPOUND:] synonym: "C16H9N4Na3O9S2" RELATED FORMULA [ChEBI:] synonym: "[Na+].[Na+].[Na+].[O-]C(=O)C1=NN(C(=O)C1\\N=N\\c1ccc(cc1)S([O-])(=O)=O)c1ccc(cc1)S([O-])(=O)=O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C16H12N4O9S2.3Na/c21-15-13(18-17-9-1-5-11(6-2-9)30(24,25)26)14(16(22)23)19-20(15)10-3-7-12(8-4-10)31(27,28)29;;;/h1-8,13H,(H,22,23)(H,24,25,26)(H,27,28,29);;;/q;3*+1/p-3/b18-17+;;;" RELATED InChI [ChEBI:] synonym: "InChIKey=UJMBCXLDXJUMFB-GLCFPVLVSA-K" RELATED InChIKey [ChEBI:] xref: KEGG COMPOUND:1934-21-0 "CAS Registry Number" xref: KEGG COMPOUND:C07574 "KEGG COMPOUND" xref: CiteXplore:3425858 "PubMed citation" xref: ChemIDplus:1934-21-0 "CAS Registry Number" xref: Beilstein:906396 "Beilstein Registry Number" is_a: CHEBI:38700 relationship: has_role CHEBI:37958 relationship: has_part CHEBI:68628 [Term] id: CHEBI:5164 name: fosinopril sodium def: "The sodium salt of fosinopril. It is used for the treatment of hypertension and heart failure. A pro-drug, its phosphinate ester group is hydrolysed in vivo to give the corresponding phosphininc acid, fosinoprilat, which is the active metabolite." [] synonym: "fosinopril sodium" EXACT [KEGG DRUG:] synonym: "sodium (2S,4S)-4-cyclohexyl-1-({[2-methyl-1-(propanoyloxy)propoxy](4-phenylbutyl)phosphoryl}acetyl)pyrrolidine-2-carboxylate" EXACT IUPAC_NAME [IUPAC:] synonym: "C30H45NNaO7P" RELATED FORMULA [ChEBI:] synonym: "[Na+].[H][C@]1(C[C@H](N(C1)C(=O)CP(=O)(CCCCc1ccccc1)OC(OC(=O)CC)C(C)C)C([O-])=O)C1CCCCC1" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C30H46NO7P.Na/c1-4-28(33)37-30(22(2)3)38-39(36,18-12-11-15-23-13-7-5-8-14-23)21-27(32)31-20-25(19-26(31)29(34)35)24-16-9-6-10-17-24;/h5,7-8,13-14,22,24-26,30H,4,6,9-12,15-21H2,1-3H3,(H,34,35);/q;+1/p-1/t25-,26+,30?,39?;/m1./s1" RELATED InChI [ChEBI:] synonym: "InChIKey=TVTJZMHAIQQZTL-HREVRLCXSA-M" RELATED InChIKey [ChEBI:] xref: CiteXplore:2967089 "PubMed citation" xref: CiteXplore:9604795 "PubMed citation" xref: Patent:US2006160772 "Patent" xref: KEGG DRUG:88889-14-9 "CAS Registry Number" xref: CiteXplore:18154978 "PubMed citation" xref: ChemIDplus:88889-14-9 "CAS Registry Number" xref: Patent:WO02088149 "Patent" xref: KEGG DRUG:D00622 "KEGG DRUG" xref: Beilstein:6840563 "Beilstein Registry Number" is_a: CHEBI:26273 is_a: CHEBI:26043 relationship: has_role CHEBI:35457 relationship: has_role CHEBI:50266 relationship: has_role CHEBI:35674 is_a: CHEBI:38700 relationship: has_part CHEBI:59125 [Term] id: CHEBI:59164 name: balsalazide disodium def: "The dihydrate of the disodium salt of balsalazide. A prodrug, releasing the anti-inflammatory 5-aminosalicylic acid (mesalazine) in the large intestine, it is used in the treatment of ulcerative colitis." [] synonym: "balsalazide sodium" RELATED [ChEBI:] synonym: "sodium 5-[(E)-{4-[(2-carboxylatoethyl)carbamoyl]phenyl}diazenyl]-2-hydroxybenzoate hydrate (2:1:2)" RELATED [IUPAC:] synonym: "disodium 5-[(E)-{4-[(2-carboxylatoethyl)carbamoyl]phenyl}diazenyl]-2-hydroxybenzoate--water (1/2)" EXACT IUPAC_NAME [IUPAC:] synonym: "bisalazine disodium" RELATED [ChEBI:] synonym: "disodium balsalazide" RELATED [KEGG DRUG:] synonym: "disodium 5-[4-(2-carboxyethylcarbamoyl)phenylazo]salicylate" RELATED [ChEBI:] synonym: "bisalazide sodique" RELATED [ChEBI:] synonym: "natrii balsalazidum" RELATED [ChEBI:] synonym: "disodium 5-((4-(((2-carboxyethyl)amino)carbonyl)phenyl)azo)-2-hydroxybenzoate dihydrate" RELATED [ChEBI:] synonym: "C17H17N3Na2O8" RELATED FORMULA [ChEBI:] synonym: "O.O.[Na+].[Na+].Oc1ccc(cc1C([O-])=O)\\N=N\\c1ccc(cc1)C(=O)NCCC([O-])=O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C17H15N3O6.2Na.2H2O/c21-14-6-5-12(9-13(14)17(25)26)20-19-11-3-1-10(2-4-11)16(24)18-8-7-15(22)23;;;;/h1-6,9,21H,7-8H2,(H,18,24)(H,22,23)(H,25,26);;;2*1H2/q;2*+1;;/p-2/b20-19+;;;;" RELATED InChI [ChEBI:] synonym: "InChIKey=XDCNKOBSQURQOZ-MVIJUDHYSA-L" RELATED InChIKey [ChEBI:] xref: DrugBank:DB01014 "DrugBank" xref: KEGG DRUG:150399-21-6 "CAS Registry Number" xref: KEGG DRUG:D02715 "KEGG DRUG" xref: ChemIDplus:150399-21-6 "CAS Registry Number" xref: Beilstein:8245993 "Beilstein Registry Number" is_a: CHEBI:38700 relationship: has_functional_parent CHEBI:267413 is_a: CHEBI:35505 relationship: has_role CHEBI:55324 relationship: has_role CHEBI:49201 relationship: has_role CHEBI:35475 relationship: has_part CHEBI:59165 [Term] id: CHEBI:140536 name: bromfenac sodium salt def: "The sodium salt of bromfenac. Note that 'bromfenac sodium' commonly refers to the sesquihydrate (120638-55-3); this is the anhydrous form." [] synonym: "bromfenac sodium" RELATED [ChemIDplus:] synonym: "Sodium; [2-amino-3-(4-bromo-benzoyl)-phenyl]-acetate" RELATED [ChEMBL:] synonym: "sodium [2-amino-3-(4-bromobenzoyl)phenyl]acetate" EXACT IUPAC_NAME [IUPAC:] synonym: "C15H11BrNNaO3" RELATED FORMULA [ChEBI:] synonym: "[Na+].Nc1c(CC([O-])=O)cccc1C(=O)c1ccc(Br)cc1" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C15H12BrNO3.Na/c16-11-6-4-9(5-7-11)15(20)12-3-1-2-10(14(12)17)8-13(18)19;/h1-7H,8,17H2,(H,18,19);/q;+1/p-1" RELATED InChI [ChEBI:] synonym: "InChIKey=HZFGMQJYAFHESD-UHFFFAOYSA-M" RELATED InChIKey [ChEBI:] xref: ChemIDplus:91714-93-1 "CAS Registry Number" xref: Beilstein:6034130 "Beilstein Registry Number" is_a: CHEBI:38700 is_a: CHEBI:22726 is_a: CHEBI:48975 relationship: has_role CHEBI:35475 relationship: has_role CHEBI:35481 is_a: CHEBI:37141 relationship: has_part CHEBI:59175 [Term] id: CHEBI:59176 name: bromfenac sodium salt sesquihydrate def: "The sesquihydrate of the sodium salt of bromfenac. It is used for the management of ocular pain and treatment of postoperative inflammation in patients who have undergone cataract extraction." [] synonym: "sodium [2-amino-3-(4-bromobenzoyl)phenyl]acetate sesquihydrate" RELATED [ChEBI:] synonym: "sodium [2-amino-3-(4-bromobenzoyl)phenyl]acetate sesquihydrate" RELATED [IUPAC:] synonym: "sodium 2-amino-3-(4-bromobenzoyl) phenylacetate sesquihydrate" RELATED [ChemIDplus:] synonym: "bromfenac sodium hydrate" RELATED [KEGG DRUG:] synonym: "bromfenac sodium" RELATED [KEGG DRUG:] synonym: "sodium [2-amino-3-(p-bromobenzoyl)phenyl]acetate sesquihydrate" RELATED [ChEBI:] synonym: "sodium [2-amino-3-(4-bromobenzoyl)phenyl]acetate--water (2/3)" EXACT IUPAC_NAME [IUPAC:] synonym: "bromfenac monosodium salt sesquihydrate" RELATED [ChEBI:] synonym: "C30H28Br2N2Na2O9" RELATED FORMULA [ChEBI:] synonym: "O.O.O.[Na+].[Na+].Nc1c(CC([O-])=O)cccc1C(=O)c1ccc(Br)cc1.Nc1c(CC([O-])=O)cccc1C(=O)c1ccc(Br)cc1" RELATED SMILES [ChEBI:] synonym: "InChI=1S/2C15H12BrNO3.2Na.3H2O/c2*16-11-6-4-9(5-7-11)15(20)12-3-1-2-10(14(12)17)8-13(18)19;;;;;/h2*1-7H,8,17H2,(H,18,19);;;3*1H2/q;;2*+1;;;/p-2" RELATED InChI [ChEBI:] synonym: "InChIKey=PPOSVVJOVKVBPW-UHFFFAOYSA-L" RELATED InChIKey [ChEBI:] xref: DrugBank:DB00963 "DrugBank" xref: ChemIDplus:120638-55-3 "CAS Registry Number" xref: KEGG DRUG:D03163 "KEGG DRUG" is_a: CHEBI:38700 relationship: has_role CHEBI:35475 relationship: has_role CHEBI:35481 is_a: CHEBI:22726 is_a: CHEBI:48975 is_a: CHEBI:35505 is_a: CHEBI:37141 relationship: has_part CHEBI:59175 [Term] id: CHEBI:31377 name: cefpiramide sodium def: "The sodium salt of cefpiramide." [] synonym: "sodium (6R,7R)-7-((R)-2-(4-hydroxy-6-methylnicotinamido)-2-(p-hydroxyphenyl)acetamido)-3-(((1-methyl-1H-tetrazol-5-yl)thio)methyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylate" RELATED [ChemIDplus:] synonym: "Cefpiramide sodium" EXACT [KEGG COMPOUND:] synonym: "sodium (6R,7R)-7-{[(2R)-2-{[(4-hydroxy-6-methylpyridin-3-yl)carbonyl]amino}-2-(4-hydroxyphenyl)acetyl]amino}-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate" EXACT IUPAC_NAME [IUPAC:] synonym: "C25H23N8NaO7S2" RELATED FORMULA [ChEBI:] synonym: "[Na+].[H][C@]12SCC(CSc3nnnn3C)=C(N1C(=O)[C@@]2([H])NC(=O)[C@H](NC(=O)c1cnc(C)cc1O)c1ccc(O)cc1)C([O-])=O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C25H24N8O7S2.Na/c1-11-7-16(35)15(8-26-11)20(36)27-17(12-3-5-14(34)6-4-12)21(37)28-18-22(38)33-19(24(39)40)13(9-41-23(18)33)10-42-25-29-30-31-32(25)2;/h3-8,17-18,23,34H,9-10H2,1-2H3,(H,26,35)(H,27,36)(H,28,37)(H,39,40);/q;+1/p-1/t17-,18-,23-;/m1./s1" RELATED InChI [ChEBI:] synonym: "InChIKey=RIWWMGQFMUUYIY-ALLHVENQSA-M" RELATED InChIKey [ChEBI:] xref: KEGG COMPOUND:C13376 "KEGG COMPOUND" xref: ChemIDplus:74849-93-7 "CAS Registry Number" xref: KEGG DRUG:D01904 "KEGG DRUG" xref: DrugBank:DB00430 "DrugBank" xref: KEGG COMPOUND:74849-93-7 "CAS Registry Number" is_a: CHEBI:38700 relationship: has_part CHEBI:59214 [Term] id: CHEBI:3545 name: cephapirin sodium def: "The sodium salt of cephapirin. A first-generation cephalosporin antibiotic, it is effective against gram-negative and gram-positive organisms. Being more resistant to beta-lactamases than penicillins, it is effective agains most staphylococci, though not methicillin-resistant staphylococci." [] synonym: "Sodium cefapirin" RELATED [KEGG COMPOUND:] synonym: "monosodium (6R,7R)-3-(hydroxymethyl)-8-oxo-7-(2-(4-pyridylthio)acetamido)-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylate acetate" RELATED [ChemIDplus:] synonym: "sodium (6R,7R)-3-[(acetyloxy)methyl]-8-oxo-7-{[(pyridin-4-ylsulfanyl)acetyl]amino}-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate" EXACT IUPAC_NAME [IUPAC:] synonym: "Cephapirin sodium" EXACT [KEGG COMPOUND:] synonym: "Cefapirin sodium" RELATED [KEGG COMPOUND:] synonym: "sodium 7-(pyrid-4-ylthioacetamido)cephalosporanate" RELATED [ChEBI:] synonym: "C17H16N3NaO6S2" RELATED FORMULA [ChEBI:] synonym: "[Na+].[H][C@]12SCC(COC(C)=O)=C(N1C(=O)[C@H]2NC(=O)CSc1ccncc1)C([O-])=O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C17H17N3O6S2.Na/c1-9(21)26-6-10-7-28-16-13(15(23)20(16)14(10)17(24)25)19-12(22)8-27-11-2-4-18-5-3-11;/h2-5,13,16H,6-8H2,1H3,(H,19,22)(H,24,25);/q;+1/p-1/t13-,16-;/m1./s1" RELATED InChI [ChEBI:] synonym: "InChIKey=VGEOUKPOQQEQSX-OALZAMAHSA-M" RELATED InChIKey [ChEBI:] xref: KEGG DRUG:D00908 "KEGG DRUG" xref: ChemIDplus:24356-60-3 "CAS Registry Number" xref: Patent:US3422100 "Patent" xref: Patent:US3503967 "Patent" xref: KEGG COMPOUND:24356-60-3 "CAS Registry Number" xref: KEGG COMPOUND:C08101 "KEGG COMPOUND" xref: DrugBank:DB01139 "DrugBank" xref: Patent:US3578661 "Patent" xref: Beilstein:4900637 "Beilstein Registry Number" is_a: CHEBI:23066 relationship: has_role CHEBI:36047 is_a: CHEBI:38700 relationship: has_part CHEBI:59217 [Term] id: CHEBI:59247 name: sulcofuron-sodium def: "The sodium salt of sulcofuron." [] synonym: "N-3,4-Dichlorophenyl N-5-chloro-2-(2-sodium sulfonyl-4-chlorophenoxy)phenyl urea" RELATED [ChemIDplus:] synonym: "sodium 5-chloro-2-(4-chloro-2-{[(3,4-dichlorophenyl)carbamoyl]amino}phenoxy)benzenesulfonate" EXACT IUPAC_NAME [IUPAC:] synonym: "N-(3,4-Dichlorophenyl)-N'-2-(2-sulfo-4-chlorophenoxy)-5-chlorophenyl urea sodium salt" RELATED [ChemIDplus:] synonym: "Sodium 5-chloro-2-(4-chloro-2-((((3,4-dichlorophenyl)amino)carbonyl)amino)phenoxy)benzenesulphonate" RELATED [ChemIDplus:] synonym: "Sodium 5-chloro-2-(4-chloro-2-(3-(3,4-dichlorophenyl)-ureido)phenoxy)benzenesulfonate" RELATED [ChemIDplus:] synonym: "Sulcofuron" RELATED [ChemIDplus:] synonym: "C19H11Cl4N2NaO5S" RELATED FORMULA [ChEBI:] synonym: "[Na+].[O-]S(=O)(=O)c1cc(Cl)ccc1Oc1ccc(Cl)cc1NC(=O)Nc1ccc(Cl)c(Cl)c1" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C19H12Cl4N2O5S.Na/c20-10-1-5-16(30-17-6-2-11(21)8-18(17)31(27,28)29)15(7-10)25-19(26)24-12-3-4-13(22)14(23)9-12;/h1-9H,(H2,24,25,26)(H,27,28,29);/q;+1/p-1" RELATED InChI [ChEBI:] synonym: "InChIKey=NMGNJWORLGLLHQ-UHFFFAOYSA-M" RELATED InChIKey [ChEBI:] xref: ChemIDplus:3567-25-7 "CAS Registry Number" xref: CiteXplore:8841454 "PubMed citation" is_a: CHEBI:25705 is_a: CHEBI:38700 relationship: has_role CHEBI:53000 is_a: CHEBI:47857 relationship: has_part CHEBI:59248 [Term] id: CHEBI:34617 name: cefotetan disodium def: "The disodium salt of cefotetan." [] synonym: "disodium 7beta-({[4-(2-amino-1-carboxylato-2-oxoethylidene)-1,3-dithietan-2-yl]carbonyl}amino)-7alpha-methoxy-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-3,4-didehydrocepham-4-carboxylate" EXACT IUPAC_NAME [IUPAC:] synonym: "Cefotetan disodium" EXACT [KEGG COMPOUND:] synonym: "Cefotetan sodium" RELATED [KEGG COMPOUND:] synonym: "disodium (6R,7S)-7-({[4-(2-amino-1-carboxylato-2-oxoethylidene)-1,3-dithietan-2-yl]carbonyl}amino)-7-methoxy-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate" EXACT IUPAC_NAME [IUPAC:] synonym: "C17H15N7Na2O8S4" RELATED FORMULA [ChEBI:] synonym: "[Na+].[Na+].[H][C@]12SCC(CSc3nnnn3C)=C(N1C(=O)[C@]2(NC(=O)C1SC(S1)=C(C(N)=O)C([O-])=O)OC)C([O-])=O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C17H17N7O8S4.2Na/c1-23-16(20-21-22-23)34-4-5-3-33-15-17(32-2,14(31)24(15)7(5)11(29)30)19-9(26)13-35-12(36-13)6(8(18)25)10(27)28;;/h13,15H,3-4H2,1-2H3,(H2,18,25)(H,19,26)(H,27,28)(H,29,30);;/q;2*+1/p-2/b12-6-;;/t13?,15-,17+;;/m1../s1" RELATED InChI [ChEBI:] synonym: "InChIKey=ZQQALMSFFARWPK-GLHLDKNHSA-L" RELATED InChIKey [ChEBI:] xref: ChemIDplus:74356-00-6 "CAS Registry Number" xref: KEGG DRUG:D02228 "KEGG DRUG" xref: Beilstein:5716628 "Beilstein Registry Number" is_a: CHEBI:38700 relationship: has_part CHEBI:59358 relationship: has_role CHEBI:36047 [Term] id: CHEBI:59390 name: cephalexin sodium def: "The sodium salt of cephalexin." [] synonym: "cefalexin sodium" RELATED [ChEBI:] synonym: "sodium (6R,7R)-7-{[(2R)-2-amino-2-phenylacetyl]amino}-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate" EXACT IUPAC_NAME [IUPAC:] synonym: "sodium 7beta-[(2R)-2-amino-2-phenylacetamido]-3-methyl-3,4-didehydrocepham-4-carboxylate" EXACT IUPAC_NAME [IUPAC:] synonym: "C16H16N3NaO4S" RELATED FORMULA [ChEBI:] synonym: "[Na+].[H][C@]12SCC(C)=C(N1C(=O)[C@H]2NC(=O)[C@H](N)c1ccccc1)C([O-])=O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C16H17N3O4S.Na/c1-8-7-24-15-11(14(21)19(15)12(8)16(22)23)18-13(20)10(17)9-5-3-2-4-6-9;/h2-6,10-11,15H,7,17H2,1H3,(H,18,20)(H,22,23);/q;+1/p-1/t10-,11-,15-;/m1./s1" RELATED InChI [ChEBI:] synonym: "InChIKey=NZDYPHVJLWMLJI-CYJZLJNKSA-M" RELATED InChIKey [ChEBI:] xref: DrugBank:DB00567 "DrugBank" xref: Beilstein:8376600 "Beilstein Registry Number" is_a: CHEBI:38700 relationship: has_part CHEBI:59392 [Term] id: CHEBI:3559 name: cerivastatin sodium def: "The sodium salt of cerivastatin. Formerly used to lower cholesterol and prevent cardiovascular disease, it was withdrawn from the market worldwide in 2001 following reports of a severe form of muscle toxicity." [] synonym: "(+)-sodium (3R,5S,6E)-7-(4-(p-fluorophenyl)-2,6-diisopropyl-5-(methoxymethyl)-3-pyridyl)-3,5-dihydroxy-6-heptenoate" RELATED [ChemIDplus:] synonym: "sodium (3R,5S,6E)-7-[4-(4-fluorophenyl)-5-(methoxymethyl)-2,6-di(propan-2-yl)pyridin-3-yl]-3,5-dihydroxyhept-6-enoate" EXACT IUPAC_NAME [IUPAC:] synonym: "C26H33FNNaO5" RELATED FORMULA [ChEBI:] synonym: "[Na+].COCc1c(nc(C(C)C)c(\\C=C\\[C@@H](O)C[C@@H](O)CC([O-])=O)c1-c1ccc(F)cc1)C(C)C" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C26H34FNO5.Na/c1-15(2)25-21(11-10-19(29)12-20(30)13-23(31)32)24(17-6-8-18(27)9-7-17)22(14-33-5)26(28-25)16(3)4;/h6-11,15-16,19-20,29-30H,12-14H2,1-5H3,(H,31,32);/q;+1/p-1/b11-10+;/t19-,20-;/m1./s1" RELATED InChI [ChEBI:] synonym: "InChIKey=GPUADMRJQVPIAS-QCVDVZFFSA-M" RELATED InChIKey [ChEBI:] xref: DrugBank:DB00439 "DrugBank" xref: KEGG DRUG:D00889 "KEGG DRUG" xref: Beilstein:8466341 "Beilstein Registry Number" xref: ChemIDplus:143201-11-0 "CAS Registry Number" xref: Patent:US5177080 "Patent" is_a: CHEBI:38700 relationship: has_part CHEBI:406059 relationship: has_role CHEBI:35664 relationship: has_role CHEBI:35679 [Term] id: CHEBI:59511 name: cilastatin sodium def: "The monosodium salt of cilastatin. It is an inhibitor of dehydropeptidase I (membrane dipeptidase, 3.4.13.19), an enzyme found in the brush border of renal tubes and responsible for degrading the antibiotic imipenem. Cilastatin sodium is therefore administered with imipenem to prolong the antibacterial effect of the latter by preventing its renal metabolism to microbiologically inactive and potentially nephrotoxic products." [] synonym: "sodium (2Z)-7-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}-2-({[(1S)-2,2-dimethylcyclopropyl]carbonyl}amino)hept-2-enoate" RELATED [IUPAC:] synonym: "sodium (Z)-7-(((R)-2-amino-2-carboxyethyl)thio)-2-((S)-2,2-dimethylcyclopropanecarboxamido)-2-heptenoate" RELATED [ChemIDplus:] synonym: "sodium (2R)-2-amino-3-{[(5Z)-6-carboxy-6-({[(1S)-2,2-dimethylcyclopropyl]carbonyl}amino)hex-5-en-1-yl]sulfanyl}propanoate" EXACT IUPAC_NAME [IUPAC:] synonym: "(Z)-(S)-6-carboxy-6-[(S)-2,2-dimethylcyclopropanecarboxamido]hex-5-enyl-L-cysteine monosodium salt" RELATED [ChEBI:] synonym: "C16H25N2NaO5S" RELATED FORMULA [ChEBI:] synonym: "[Na+].CC1(C)C[C@@H]1C(=O)N\\C(C(O)=O)=C/CCCCSC[C@H](N)C([O-])=O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C16H26N2O5S.Na/c1-16(2)8-10(16)13(19)18-12(15(22)23)6-4-3-5-7-24-9-11(17)14(20)21;/h6,10-11H,3-5,7-9,17H2,1-2H3,(H,18,19)(H,20,21)(H,22,23);/q;+1/p-1/b12-6-;/t10-,11+;/m1./s1" RELATED InChI [ChEBI:] synonym: "InChIKey=QXPBTTUOVWMPJN-QBNHLFMHSA-M" RELATED InChIKey [ChEBI:] xref: Beilstein:8179743 "Beilstein Registry Number" xref: DrugBank:DB01597 "DrugBank" xref: KEGG DRUG:D02194 "KEGG DRUG" xref: ChemIDplus:81129-83-1 "CAS Registry Number" is_a: CHEBI:38700 relationship: has_part CHEBI:59512 relationship: has_role CHEBI:59499 relationship: has_role CHEBI:37670 [Term] id: CHEBI:7477 name: naproxen sodium def: "The sodium salt of naproxen." [] synonym: "sodium (2S)-2-(6-methoxy-2-naphthyl)propanoate" EXACT IUPAC_NAME [IUPAC:] synonym: "(-)-Sodium (S)-6-methoxy-alpha-methyl-2-naphthaleneacetate" RELATED [ChemIDplus:] synonym: "C14H13NaO3" RELATED FORMULA [ChEBI:] synonym: "C14H13O3.Na" RELATED FORMULA [KEGG DRUG:] synonym: "[Na+].COc1ccc2cc(ccc2c1)[C@H](C)C([O-])=O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C14H14O3.Na/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10;/h3-9H,1-2H3,(H,15,16);/q;+1/p-1/t9-;/m0./s1" RELATED InChI [ChEBI:] synonym: "InChIKey=CDBRNDSHEYLDJV-FVGYRXGTSA-M" RELATED InChIKey [ChEBI:] xref: ChemIDplus:26159-34-2 "CAS Registry Number" xref: DrugBank:DB00788 "DrugBank" xref: Beilstein:6378035 "Beilstein Registry Number" xref: KEGG DRUG:D00970 "KEGG DRUG" is_a: CHEBI:38700 relationship: has_part CHEBI:59527 relationship: has_role CHEBI:35481 relationship: has_role CHEBI:50629 relationship: has_role CHEBI:50630 relationship: has_role CHEBI:35493 relationship: has_role CHEBI:35475 [Term] id: CHEBI:59586 name: clodronic acid disodium salt def: "The disodium salt of clodronic acid. It inhibits bone resorption and soft tissue calcification, and is used (generally as the tetrahydrate) as an adjunct in the treatment of severe hypercalcaemia associated with malignancy, and in the management of osteolytic lesions and bone pain associated with skeletal metastases." [] synonym: "clodronate disodium" RELATED [KEGG DRUG:] synonym: "disodium (dichloromethylene)diphosphonate" RELATED [ChemIDplus:] synonym: "clodronate sodium" RELATED [ChemIDplus:] synonym: "sodium clodronate" RELATED [ChemIDplus:] synonym: "disodium clodronate" RELATED [ChemIDplus:] synonym: "clodronic acid disodium salt" EXACT [KEGG DRUG:] synonym: "disodium (dichloromethanediyl)bis[hydrogen (phosphonate)]" EXACT IUPAC_NAME [IUPAC:] synonym: "disodium dichloromethylene diphosphonate" RELATED [ChemIDplus:] synonym: "disodium dihydrogen (dichloromethylene)diphosphonate" RELATED [ChemIDplus:] synonym: "disodium (dichloromethylene)bisphosphonate" RELATED [ChemIDplus:] synonym: "CH2Cl2Na2O6P2" RELATED FORMULA [ChEBI:] synonym: "[Na+].[Na+].OP([O-])(=O)C(Cl)(Cl)P(O)([O-])=O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/CH4Cl2O6P2.2Na/c2-1(3,10(4,5)6)11(7,8)9;;/h(H2,4,5,6)(H2,7,8,9);;/q;2*+1/p-2" RELATED InChI [ChEBI:] synonym: "InChIKey=HJKBJIYDJLVSAO-UHFFFAOYSA-L" RELATED InChIKey [ChEBI:] xref: Beilstein:5841154 "Beilstein Registry Number" xref: KEGG DRUG:22560-50-5 "CAS Registry Number" xref: ChemIDplus:22560-50-5 "CAS Registry Number" xref: KEGG DRUG:D07720 "KEGG DRUG" is_a: CHEBI:38700 relationship: has_part CHEBI:59585 relationship: has_role CHEBI:50646 is_a: CHEBI:64708 [Term] id: CHEBI:59587 name: disodium clodronate tetrahydrate def: "The tetrahydrate of the disodium salt of clodronic acid. It inhibits bone resorption and soft tissue calcification, and is used as an adjunct in the treatment of severe hypercalcaemia associated with malignancy, and in the management of osteolytic lesions and bone pain associated with skeletal metastases." [] synonym: "disodium (dichloromethylene)disphosphonate tetrahydrate" RELATED [ChEBI:] synonym: "disodium (dichloromethanediyl)bis[hydrogen (phosphonate)]--water (1/4)" EXACT IUPAC_NAME [IUPAC:] synonym: "clodronate disodium" RELATED [ChEBI:] synonym: "clodronate disodium tetrahydrate" RELATED [ChEBI:] synonym: "CH10Cl2Na2O10P2" RELATED FORMULA [ChEBI:] synonym: "O.O.O.O.[Na+].[Na+].OP([O-])(=O)C(Cl)(Cl)P(O)([O-])=O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/CH4Cl2O6P2.2Na.4H2O/c2-1(3,10(4,5)6)11(7,8)9;;;;;;/h(H2,4,5,6)(H2,7,8,9);;;4*1H2/q;2*+1;;;;/p-2" RELATED InChI [ChEBI:] synonym: "InChIKey=XWHPUCFOTRBMGS-UHFFFAOYSA-L" RELATED InChIKey [ChEBI:] is_a: CHEBI:35505 relationship: has_part CHEBI:59586 relationship: has_role CHEBI:50646 is_a: CHEBI:64708 [Term] id: CHEBI:34650 name: colistimethate sodium alt_id: CHEBI:597110 def: "A mixture where R = H or Me. Colistin in which each of the primary amino groups is converted to the corresponding aminomethanesulfonic acid sodium salt, commonly by the action of formaldehyde followed by sodium bisulfite. A polymyxin antibiotic derivative, it is used in the treatment of severe infections, particularly of multidrug-resistant Gram-negative bacteria such as Pseudomonas aeruginosa and Acinetobacter baumannii." [] synonym: "Colistin sodium methanesulfonate" RELATED [KEGG COMPOUND:] synonym: "sodium colistinemethanesulfonate" RELATED [ChemIDplus:] synonym: "colistimethate sodium" RELATED INN [ChemIDplus:] synonym: "sodium colistimethate" RELATED [ChemIDplus:] synonym: "pentasodium colistinmethanesulfonate" RELATED [ChemIDplus:] synonym: "colistimethate" RELATED [DrugBank:] synonym: "colistin sulfomethate sodium" RELATED [ChemIDplus:] synonym: "sodium colistin methanesulfonate" RELATED [ChemIDplus:] synonym: "Colistimethate sodium" EXACT [KEGG COMPOUND:] synonym: "colistin sulfomethate" RELATED [ChemIDplus:] synonym: "Colistin methanesulfonate" RELATED [ChEMBL:] synonym: "C57H102N16Na5O28S5R" RELATED FORMULA [ChEBI:] synonym: "[Na+].[Na+].[Na+].[Na+].[Na+].CC[C@@H](C)CCCCC(=O)N[C@@H](CCNCS([O-])(=O)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCNCS([O-])(=O)=O)C(=O)N[C@H]1CCNC(=O)[C@@H](NC(=O)[C@H](CCNCS([O-])(=O)=O)NC(=O)[C@H](CCNCS([O-])(=O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CCNCS([O-])(=O)=O)NC1=O)[C@@H](C)O" RELATED SMILES [ChEBI:] xref: KEGG COMPOUND:C13553 "KEGG COMPOUND" xref: DrugBank:DB01111 "DrugBank" xref: ChemIDplus:8068-28-8 "CAS Registry Number" xref: KEGG COMPOUND:8068-28-8 "CAS Registry Number" xref: CiteXplore:18625681 "PubMed citation" xref: CiteXplore:16931410 "PubMed citation" xref: KEGG DRUG:D02049 "KEGG DRUG" is_a: CHEBI:59062 relationship: has_functional_parent CHEBI:37943 is_a: CHEBI:25903 relationship: has_role CHEBI:50266 is_a: CHEBI:38700 relationship: has_part CHEBI:59661 relationship: has_part CHEBI:59663 relationship: has_part CHEBI:59664 [Term] id: CHEBI:59663 name: colistin A sodium methanesulfonate def: "Colistin A in which each of the primary amino groups is converted to the corresponding aminomethanesulfonic acid sodium salt, commonly by treatment with formaldehyde followed by sodium bisulfite." [] synonym: "polymyxin E1 sulfomethate sodium" RELATED [ChEBI:] synonym: "polymyxin E1 sodium methanesulfonate" RELATED [ChEBI:] synonym: "colistin A sulfomethate sodium" RELATED [ChEBI:] synonym: "pentasodium {[(3S)-4-{[(3S,6S,9S,12S,15R,18S,21S)-3-[(1R)-1-hydroxyethyl]-12,15-bis(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-6,9,18-tris{2-[(sulfonatomethyl)amino]ethyl}-1,4,7,10,13,16,19-heptaazacyclotricosan-21-yl]amino}-3-{[(2S,3R)-3-hydroxy-2-({(2S)-2-{[(6R)-6-methyloctanoyl]amino}-4-[(sulfonatomethyl)amino]butanoyl}amino)butanoyl]amino}-4-oxobutyl]amino}methanesulfonate" EXACT IUPAC_NAME [IUPAC:] synonym: "C58H105N16Na5O28S5" RELATED FORMULA [ChEBI:] synonym: "[Na+].[Na+].[Na+].[Na+].[Na+].CC[C@@H](C)CCCCC(=O)N[C@@H](CCNCS([O-])(=O)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCNCS([O-])(=O)=O)C(=O)N[C@H]1CCNC(=O)[C@@H](NC(=O)[C@H](CCNCS([O-])(=O)=O)NC(=O)[C@H](CCNCS([O-])(=O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CCNCS([O-])(=O)=O)NC1=O)[C@@H](C)O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C58H110N16O28S5.5Na/c1-9-35(6)12-10-11-13-46(77)65-38(14-20-59-28-103(88,89)90)53(82)74-48(37(8)76)58(87)70-41(17-23-62-31-106(97,98)99)50(79)68-43-19-25-64-57(86)47(36(7)75)73-54(83)42(18-24-63-32-107(100,101)102)67-49(78)39(15-21-60-29-104(91,92)93)69-55(84)44(26-33(2)3)72-56(85)45(27-34(4)5)71-52(81)40(66-51(43)80)16-22-61-30-105(94,95)96;;;;;/h33-45,47-48,59-63,75-76H,9-32H2,1-8H3,(H,64,86)(H,65,77)(H,66,80)(H,67,78)(H,68,79)(H,69,84)(H,70,87)(H,71,81)(H,72,85)(H,73,83)(H,74,82)(H,88,89,90)(H,91,92,93)(H,94,95,96)(H,97,98,99)(H,100,101,102);;;;;/q;5*+1/p-5/t35-,36-,37-,38+,39+,40+,41+,42+,43+,44+,45-,47+,48+;;;;;/m1...../s1" RELATED InChI [ChEBI:] synonym: "InChIKey=IQWHCHZFYPIVRV-VLLYEMIKSA-I" RELATED InChIKey [ChEBI:] xref: CiteXplore:16931410 "PubMed citation" is_a: CHEBI:38700 relationship: has_functional_parent CHEBI:59064 is_a: CHEBI:59062 is_a: CHEBI:25903 relationship: has_part CHEBI:59666 [Term] id: CHEBI:59664 name: colistin B sodium methanesulfonate def: "Colistin B in which each of the primary amino groups is converted to the corresponding aminomethanesulfonic acid sodium salt, commonly by treatment with formaldehyde followed by sodium bisulfite." [] synonym: "pentasodium {[(3S)-4-{[(3S,6S,9S,12S,15R,18S,21S)-3-[(1R)-1-hydroxyethyl]-12,15-bis(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-6,9,18-tris{2-[(sulfonatomethyl)amino]ethyl}-1,4,7,10,13,16,19-heptaazacyclotricosan-21-yl]amino}-3-{[(2S,3R)-3-hydroxy-2-({(2S)-2-[(6-methylheptanoyl)amino]-4-[(sulfonatomethyl)amino]butanoyl}amino)butanoyl]amino}-4-oxobutyl]amino}methanesulfonate" EXACT IUPAC_NAME [IUPAC:] synonym: "polymyxin E2 sulfomethate sodium" RELATED [ChEBI:] synonym: "colistin B sulfomethate sodium" RELATED [ChEBI:] synonym: "polymyxin E2 sodium methanesulfonate" RELATED [ChEBI:] synonym: "C57H103N16Na5O28S5" RELATED FORMULA [ChEBI:] synonym: "[Na+].[Na+].[Na+].[Na+].[Na+].CC(C)CCCCC(=O)N[C@@H](CCNCS([O-])(=O)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCNCS([O-])(=O)=O)C(=O)N[C@H]1CCNC(=O)[C@@H](NC(=O)[C@H](CCNCS([O-])(=O)=O)NC(=O)[C@H](CCNCS([O-])(=O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CCNCS([O-])(=O)=O)NC1=O)[C@@H](C)O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C57H108N16O28S5.5Na/c1-32(2)11-9-10-12-45(76)64-37(13-19-58-27-102(87,88)89)52(81)73-47(36(8)75)57(86)69-40(16-22-61-30-105(96,97)98)49(78)67-42-18-24-63-56(85)46(35(7)74)72-53(82)41(17-23-62-31-106(99,100)101)66-48(77)38(14-20-59-28-103(90,91)92)68-54(83)43(25-33(3)4)71-55(84)44(26-34(5)6)70-51(80)39(65-50(42)79)15-21-60-29-104(93,94)95;;;;;/h32-44,46-47,58-62,74-75H,9-31H2,1-8H3,(H,63,85)(H,64,76)(H,65,79)(H,66,77)(H,67,78)(H,68,83)(H,69,86)(H,70,80)(H,71,84)(H,72,82)(H,73,81)(H,87,88,89)(H,90,91,92)(H,93,94,95)(H,96,97,98)(H,99,100,101);;;;;/q;5*+1/p-5/t35-,36-,37+,38+,39+,40+,41+,42+,43+,44-,46+,47+;;;;;/m1...../s1" RELATED InChI [ChEBI:] synonym: "InChIKey=WZLRYLCDDODFHL-WSNMVEPOSA-I" RELATED InChIKey [ChEBI:] xref: CiteXplore:16931410 "PubMed citation" is_a: CHEBI:38700 relationship: has_functional_parent CHEBI:59673 relationship: has_part CHEBI:59667 is_a: CHEBI:25903 is_a: CHEBI:59062 [Term] id: CHEBI:4318 name: dantrolene sodium (anhydrous) def: "The anhydrous sodium salt of dantrolene." [] synonym: "1-((5-(p-nitrophenyl)furfurylidene)amino)hydantoin sodium" RELATED [ChemIDplus:] synonym: "anhydrous dantrolene sodium" RELATED [ChEBI:] synonym: "Dantrolene sodium anhydrous" RELATED [KEGG COMPOUND:] synonym: "dantrolene sodium" RELATED [ChemIDplus:] synonym: "sodium 3-({[5-(4-nitrophenyl)furan-2-yl]methylidene}amino)-2,5-dioxoimidazolidin-1-ide" EXACT IUPAC_NAME [IUPAC:] synonym: "C14H9N4NaO5" RELATED FORMULA [ChEBI:] synonym: "[Na+].[O-][N+](=O)c1ccc(cc1)-c1ccc(C=NN2CC(=O)[N-]C2=O)o1" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C14H10N4O5.Na/c19-13-8-17(14(20)16-13)15-7-11-5-6-12(23-11)9-1-3-10(4-2-9)18(21)22;/h1-7H,8H2,(H,16,19,20);/q;+1/p-1" RELATED InChI [ChEBI:] synonym: "InChIKey=KSRLIXGNPXAZHD-UHFFFAOYSA-M" RELATED InChIKey [ChEBI:] xref: ChemIDplus:14663-23-1 "CAS Registry Number" xref: KEGG COMPOUND:14663-23-1 "CAS Registry Number" xref: KEGG COMPOUND:C07933 "KEGG COMPOUND" xref: Beilstein:5698800 "Beilstein Registry Number" is_a: CHEBI:38700 relationship: has_part CHEBI:59697 [Term] id: CHEBI:184644 name: dantrolene sodium hemiheptahydrate def: "A hydrate which is the hemiheptahydrate of anhydrous dantrolene sodium." [] synonym: "dantrolene sodium" RELATED [ChEBI:] synonym: "sodium 3-({[5-(4-nitrophenyl)furan-2-yl]methylidene}amino)-2,5-dioxoimidazolidin-1-ide--water (2/7)" EXACT IUPAC_NAME [IUPAC:] synonym: "DANTROLENE SODIUM" RELATED [ChEMBL:] synonym: "C28H32N8Na2O17" RELATED FORMULA [ChEBI:] synonym: "O.O.O.O.O.O.O.[Na+].[Na+].[O-][N+](=O)c1ccc(cc1)-c1ccc(\\C=N\\N2CC(=O)[N-]C2=O)o1.[O-][N+](=O)c1ccc(cc1)-c1ccc(\\C=N\\N2CC(=O)[N-]C2=O)o1" RELATED SMILES [ChEBI:] synonym: "InChI=1S/2C14H10N4O5.2Na.7H2O/c2*19-13-8-17(14(20)16-13)15-7-11-5-6-12(23-11)9-1-3-10(4-2-9)18(21)22;;;;;;;;;/h2*1-7H,8H2,(H,16,19,20);;;7*1H2/q;;2*+1;;;;;;;/p-2/b2*15-7+;;;;;;;;;" RELATED InChI [ChEBI:] synonym: "InChIKey=LTWQNYPDAUSXBC-CDJGKPBYSA-L" RELATED InChIKey [ChEBI:] xref: KEGG DRUG:24868-20-0 "CAS Registry Number" xref: ChEMBL:10354395 "PubMed citation" xref: KEGG DRUG:D02274 "KEGG DRUG" xref: ChEMBL:3806610 "PubMed citation" xref: ChemIDplus:24868-20-0 "CAS Registry Number" xref: DrugBank:DB01219 "DrugBank" is_a: CHEBI:35505 relationship: has_part CHEBI:4318 relationship: has_role CHEBI:51371 [Term] id: CHEBI:59715 name: sodium squarate def: "An organic sodium salt which is the disodium salt of squaric acid." [] synonym: "disodium squarate" RELATED [ChEBI:] synonym: "disodium 3,4-dioxocyclobut-1-ene-1,2-diolate" EXACT IUPAC_NAME [IUPAC:] synonym: "C4Na2O4" RELATED FORMULA [ChEBI:] synonym: "[Na+].[Na+].[O-]c1c([O-])c(=O)c1=O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C4H2O4.2Na/c5-1-2(6)4(8)3(1)7;;/h5-6H;;/q;2*+1/p-2" RELATED InChI [ChEBI:] synonym: "InChIKey=UNUVOQUVNRHMOA-UHFFFAOYSA-L" RELATED InChIKey [ChEBI:] xref: Beilstein:6541909 "Beilstein Registry Number" is_a: CHEBI:38700 relationship: has_part CHEBI:59712 [Term] id: CHEBI:60070 name: ertapenem sodium def: "The monosodium salt of ertapenem. It is used for the treatment of moderate to severe susceptible infections including intra-abdominal and acute gynaecological infections, pneumonia, and infections of the skin and of the urinary tract. It is more stable to renal dehydropeptidase I tham imipenem, and so unlike imipenem, its use with cilastatin, which inhibits the enzyme, is not required." [] synonym: "sodium (4R,5S,6S)-3-({(3S,5S)-5-[(m-carboxylatophenyl)carbamoyl]pyrrolidinium-3-yl}sulfanyl)-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate" RELATED [ChEBI:] synonym: "sodium (4R,5S,6S)-3-({(3S,5S)-5-[(3-carboxylatophenyl)carbamoyl]pyrrolidinium-3-yl}sulfanyl)-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate" EXACT IUPAC_NAME [IUPAC:] synonym: "sodium (4R,5S,6S)-3-({(3S,5S)-5-[(m-carboxyphenyl)carbamoyl]-3-pyrrolidinyl}thio)-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate" RELATED [ChEBI:] synonym: "C22H24N3NaO7S" RELATED FORMULA [ChEBI:] synonym: "[Na+].[H][C@]1(C[NH2+][C@@]([H])(C1)C(=O)Nc1cccc(c1)C([O-])=O)SC1=C(N2C(=O)[C@]([H])([C@@H](C)O)[C@@]2([H])[C@H]1C)C([O-])=O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C22H25N3O7S.Na/c1-9-16-15(10(2)26)20(28)25(16)17(22(31)32)18(9)33-13-7-14(23-8-13)19(27)24-12-5-3-4-11(6-12)21(29)30;/h3-6,9-10,13-16,23,26H,7-8H2,1-2H3,(H,24,27)(H,29,30)(H,31,32);/q;+1/p-1/t9-,10-,13+,14+,15-,16-;/m1./s1" RELATED InChI [ChEBI:] synonym: "InChIKey=ZXNAQFZBWUNWJM-HRXMHBOMSA-M" RELATED InChIKey [ChEBI:] xref: Beilstein:8182202 "Beilstein Registry Number" xref: DrugBank:DB00303 "DrugBank" xref: KEGG DRUG:D04049 "KEGG DRUG" xref: ChemIDplus:153773-82-1 "CAS Registry Number" is_a: CHEBI:38700 relationship: has_part CHEBI:60071 relationship: has_role CHEBI:36047 [Term] id: CHEBI:141644 name: trisodium phosphonoformate def: "The trisodium salt of phosphonoformic acid. It is used as an antiviral agent in the treatment of cytomegalovirus retinitis (CMV retinitis, an inflamation of the retina that can lead to blindness) and as an alternative to ganciclovir for AIDS patients who require concurrent antiretroviral therapy but are unable to tolerate ganciclovir due to haematological toxicity." [] synonym: "trisodium phosphonoformate" EXACT [ChEMBL:] synonym: "trisodium dioxidophosphinecarboxylate oxide" RELATED [ChEMBL:] synonym: "foscarnet sodium" RELATED INN [KEGG DRUG:] synonym: "trisodium carboxyphosphate (anhydrous)" RELATED [ChEBI:] synonym: "foscarneto sodico" RELATED INN [ChemIDplus:] synonym: "FOSCARNET SODIUM" RELATED [ChEMBL:] synonym: "foscarnet sodique" RELATED INN [ChemIDplus:] synonym: "foscarnetum natricum" RELATED INN [ChemIDplus:] synonym: "trisodium carboxyphosphate" RELATED [ChemIDplus:] synonym: "foscarnet sodium" RELATED [ChEMBL:] synonym: "trisodium phosphonoformate (anhydrous)" RELATED [ChEBI:] synonym: "CNa3O5P" RELATED FORMULA [ChEBI:] synonym: "[Na+].[Na+].[Na+].[O-]C(=O)P([O-])([O-])=O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/CH3O5P.3Na/c2-1(3)7(4,5)6;;;/h(H,2,3)(H2,4,5,6);;;/q;3*+1/p-3" RELATED InChI [ChEBI:] synonym: "InChIKey=DFHAXXVZCFXGOQ-UHFFFAOYSA-K" RELATED InChIKey [ChEBI:] xref: ChemIDplus:63585-09-1 "CAS Registry Number" xref: KEGG DRUG:D00579 "KEGG DRUG" xref: DrugBank:DB00529 "DrugBank" xref: KEGG DRUG:63585-09-1 "CAS Registry Number" is_a: CHEBI:38700 relationship: has_part CHEBI:60268 relationship: has_role CHEBI:36044 is_a: CHEBI:64708 [Term] id: CHEBI:60269 name: trisodium phosphonoformate hexahydrate def: "The hexahydrate form of trisodium phosphonoformate. It is used as an antiviral agent in the treatment of cytomegalovirus retinitis (CMV retinitis, an inflamation of the retina that can lead to blindness) and as an alternative to ganciclovir for AIDS patients who require concurrent antiretroviral therapy but are unable to tolerate ganciclovir due to haematological toxicity." [] synonym: "trisodium phosphonoformate hexahydrate" EXACT [KEGG DRUG:] synonym: "foscarnet sodium hexahydrate" RELATED [KEGG DRUG:] synonym: "CH12Na3O11P" RELATED FORMULA [ChEBI:] synonym: "O.O.O.O.O.O.[Na+].[Na+].[Na+].[O-]C(=O)P([O-])([O-])=O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/CH3O5P.3Na.6H2O/c2-1(3)7(4,5)6;;;;;;;;;/h(H,2,3)(H2,4,5,6);;;;6*1H2/q;3*+1;;;;;;/p-3" RELATED InChI [ChEBI:] synonym: "InChIKey=ILRVASBWNRYBFD-UHFFFAOYSA-K" RELATED InChIKey [ChEBI:] xref: KEGG DRUG:34156-56-4 "CAS Registry Number" xref: DrugBank:DB00529 "DrugBank" xref: ChemIDplus:34156-56-4 "CAS Registry Number" xref: KEGG DRUG:D02267 "KEGG DRUG" is_a: CHEBI:35505 relationship: has_part CHEBI:141644 relationship: has_role CHEBI:36044 is_a: CHEBI:64708 [Term] id: CHEBI:60773 name: porfimer sodium def: "The sodium salt of porfimer. The purified component of haematoporphyrin derivative, it consists of a mixture of oligomeric porphyrins formed by ether and ester linkages of up to eight porphyrin units (n = 0-6), where R = CH(OH)Me and/or CH=CH2. After addition of hydrochloric acid and/or sodium hydroxide to pH 7.2 - 7.9, it is used as a photosensitiser in photodynamic therapy of non-small cell lung cancer, oesophageal cancer, and superficial bladder cancer. The drug is administered by slow intravenous injection and accumulates in malignant tissue. After 40-50 hours, it is activated by laser light at 630 nm, delivered to the tumour using a fibre optic guide. Subsequent spin transfer to oxygen molecules within the tissue, generates highly reactive singlet oxygen, and subsequent radical reactions generate superoxide and hydroxyl radicals. Propagation of radical reactions ultimately kills the tumour cells." [] synonym: "porfimer sodico" RELATED INN [ChemIDplus:] synonym: "Photofrin" RELATED BRAND_NAME [ChemIDplus:] synonym: "porfimer sodium" RELATED INN [ChemIDplus:] synonym: "porfimerum natricum" RELATED INN [ChemIDplus:] synonym: "porfimere sodique" RELATED INN [ChemIDplus:] synonym: "C96H96N12Na5O13R3" RELATED FORMULA [ChEBI:] xref: DrugBank:DB00707 "DrugBank" xref: Reaxys:8537222 "Reaxys Registry Number" xref: ChemIDplus:87806-31-3 "CAS Registry Number" is_a: CHEBI:38700 relationship: has_role CHEBI:50177 relationship: has_role CHEBI:22587 relationship: has_role CHEBI:35610 relationship: has_role CHEBI:47868 relationship: has_part CHEBI:60774 [Term] id: CHEBI:6834 name: methohexital sodium def: "The sodium salt of methohexital." [] synonym: "Brevital sodium" RELATED BRAND_NAME [ChemIDplus:] synonym: "Brietal Sodium" RELATED BRAND_NAME [ChEBI:] synonym: "sodium methohexital" RELATED [ChemIDplus:] synonym: "sodium 5-(hex-3-yn-2-yl)-1-methyl-4,6-dioxo-5-(prop-2-en-1-yl)-1,4,5,6-tetrahydropyrimidin-2-olate" EXACT IUPAC_NAME [IUPAC:] synonym: "sodium 5-allyl-1-methyl-5-(1-methyl-2- pentynyl)barbiturate" RELATED [ChemIDplus:] synonym: "methohexitone sodium" RELATED [ChemIDplus:] synonym: "Brevital" RELATED BRAND_NAME [ChemIDplus:] synonym: "C14H17N2NaO3" RELATED FORMULA [ChEBI:] synonym: "[Na+].CCC#CC(C)C1(CC=C)C(=O)N=C([O-])N(C)C1=O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C14H18N2O3.Na/c1-5-7-8-10(3)14(9-6-2)11(17)15-13(19)16(4)12(14)18;/h6,10H,2,5,9H2,1,3-4H3,(H,15,17,19);/q;+1/p-1" RELATED InChI [ChEBI:] synonym: "InChIKey=KDXZREBVGAGZHS-UHFFFAOYSA-M" RELATED InChIKey [ChEBI:] xref: KEGG DRUG:D00712 "KEGG DRUG" xref: ChemIDplus:309-36-4 "CAS Registry Number" xref: DrugBank:DB00474 "DrugBank" xref: Reaxys:4284264 "Reaxys Registry Number" xref: Patent:US2872448 "Patent" xref: KEGG DRUG:309-36-4 "CAS Registry Number" is_a: CHEBI:38700 relationship: has_part CHEBI:60792 relationship: has_role CHEBI:38877 [Term] id: CHEBI:32124 name: secobarbital sodium def: "The monosodium salt of secobarbital." [] synonym: "sodium secobarbital" RELATED [ChemIDplus:] synonym: "sodium 2,4,6-trioxo-5-(pentan-2-yl)-5-(prop-2-en-1-yl)tetrahydro-2H-pyrimidin-1-ide" EXACT IUPAC_NAME [IUPAC:] synonym: "secobarbitone sodium" RELATED [ChemIDplus:] synonym: "sodium 5-allyl-5-(1-methylbutyl)barbiturate" RELATED [ChemIDplus:] xref: KEGG DRUG:D01310 "KEGG DRUG" xref: ChemIDplus:309-43-3 "CAS Registry Number" xref: DrugBank:DB00418 "DrugBank" xref: KEGG DRUG:309-43-3 "CAS Registry Number" xref: Reaxys:5369275 "Reaxys Registry Number" is_a: CHEBI:38700 relationship: has_part CHEBI:60810 relationship: has_role CHEBI:60807 relationship: has_role CHEBI:50268 relationship: has_role CHEBI:35717 [Term] id: CHEBI:61000 name: erythrosine sodium def: "An organic sodium salt that has as its counterion a tetraiodofluorescein dianion." [] synonym: "disodium 2-(2,4,5,7-tetraiodo-6-oxido-3-oxo-8a,10a-dihydro-3H-xanthen-9-yl)benzoate" EXACT IUPAC_NAME [IUPAC:] synonym: "Erythrosin" RELATED [ChemIDplus:] synonym: "FD&C Red No. 3" RELATED [ChemIDplus:] synonym: "1427 Red" RELATED [ChemIDplus:] synonym: "Erythrosine sodium (close form)" RELATED [ChemIDplus:] synonym: "Acid red 51" RELATED [ChemIDplus:] synonym: "Erythrosine" RELATED [ChemIDplus:] synonym: "2,4,5,7-Tetraiodofluorescein disodium salt" RELATED [ChemIDplus:] synonym: "1671 Red" RELATED [ChemIDplus:] synonym: "Erythrosin BS" RELATED [ChemIDplus:] synonym: "3',6-Dihydroxy-2',4',5',7'-tetraiodospiro(isobenzofuran-1(3H),9'(9H)xanthen)-one disodium salt" RELATED [ChemIDplus:] synonym: "2',4',5',7'-Tetraiodofluoroescein disodium salt" RELATED [ChemIDplus:] synonym: "Erythrosin B" RELATED [ChemIDplus:] synonym: "Erythrosin B sodium salt" RELATED [ChemIDplus:] synonym: "Food Color Red 3" RELATED [ChemIDplus:] synonym: "Aizen Food Red 3" RELATED [ChemIDplus:] synonym: "Aizen erythrosine" RELATED [ChemIDplus:] synonym: "C20H8I4Na2O5" RELATED FORMULA [ChEBI:] synonym: "[Na+].[Na+].[O-]C(=O)c1ccccc1C1=C2C=C(I)C(=O)C(I)=C2OC2C1C=C(I)C([O-])=C2I" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C20H10I4O5.2Na/c21-11-5-9-13(7-3-1-2-4-8(7)20(27)28)10-6-12(22)17(26)15(24)19(10)29-18(9)14(23)16(11)25;;/h1-6,9,18,25H,(H,27,28);;/q;2*+1/p-2" RELATED InChI [ChEBI:] synonym: "InChIKey=QRPPCKNTXBSLNK-UHFFFAOYSA-L" RELATED InChIKey [ChEBI:] xref: CiteXplore:15206583 "PubMed citation" xref: ChemIDplus:16423-68-0 "CAS Registry Number" xref: Reaxys:3583865 "Reaxys Registry Number" is_a: CHEBI:38700 relationship: has_functional_parent CHEBI:31624 [Term] id: CHEBI:31632 name: fondaparinux sodium def: "An organic sodium salt, being the decasodium salt of fondaparinux." [] synonym: "Arixtra" RELATED BRAND_NAME [KEGG DRUG:] synonym: "Methyl O-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranosyl-(1-4)-O-beta-D-glucopyranuronosyl-(1-4)-O-2-deoxy-3,6-di-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranosyl-(1-4)-O-2-O-sulfo-alpha-L-idopyranuronosyl-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranoside, decasodium salt" RELATED [ChemIDplus:] synonym: "decasodium methyl 2,6-di-O-sulfonato-alpha-D-glucopyranosyl-(1->4)-beta-D-glucopyranosyluronate-(1->4)-2,3,6-tri-O-sulfonato-alpha-D-glucopyranosyl-(1->4)-2-O-sulfonato-alpha-L-idopyranosyluronate-(1->4)-2,6-di-O-sulfonato-alpha-D-glucopyranoside" EXACT IUPAC_NAME [IUPAC:] synonym: "C31H45N3Na10O49S8" RELATED FORMULA [ChEBI:] synonym: "C31H43N3O49S8.10Na" RELATED FORMULA [KEGG DRUG:] synonym: "[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].CO[C@H]1O[C@H](COS([O-])(=O)=O)[C@@H](O[C@@H]2O[C@H]([C@@H](O[C@H]3O[C@H](COS([O-])(=O)=O)[C@@H](O[C@@H]4O[C@@H]([C@@H](O[C@H]5O[C@H](COS([O-])(=O)=O)[C@@H](O)[C@H](O)[C@H]5NS([O-])(=O)=O)[C@H](O)[C@H]4O)C(O)=O)[C@H](OS([O-])(=O)=O)[C@H]3NS([O-])(=O)=O)[C@H](O)[C@H]2OS([O-])(=O)=O)C(O)=O)[C@H](O)[C@H]1NS([O-])(=O)=O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C31H53N3O49S8.10Na/c1-69-27-9(33-85(48,49)50)13(37)17(6(74-27)3-71-88(57,58)59)76-31-22(83-91(66,67)68)16(40)21(24(81-31)26(43)44)79-29-10(34-86(51,52)53)19(82-90(63,64)65)18(7(75-29)4-72-89(60,61)62)77-30-15(39)14(38)20(23(80-30)25(41)42)78-28-8(32-84(45,46)47)12(36)11(35)5(73-28)2-70-87(54,55)56;;;;;;;;;;/h5-24,27-40H,2-4H2,1H3,(H,41,42)(H,43,44)(H,45,46,47)(H,48,49,50)(H,51,52,53)(H,54,55,56)(H,57,58,59)(H,60,61,62)(H,63,64,65)(H,66,67,68);;;;;;;;;;/q;10*+1/p-8/t5-,6-,7-,8-,9-,10-,11-,12-,13-,14-,15-,16+,17-,18-,19-,20+,21+,22-,23+,24-,27+,28-,29-,30-,31-;;;;;;;;;;/m1........../s1" RELATED InChI [ChEBI:] synonym: "InChIKey=XEKSTYNIJLDDAZ-JASSWCPGSA-F" RELATED InChIKey [ChEBI:] xref: CiteXplore:19636575 "PubMed citation" xref: KEGG DRUG:114870-03-0 "CAS Registry Number" xref: Reaxys:11096637 "Reaxys Registry Number" xref: KEGG DRUG:D01844 "KEGG DRUG" xref: DrugBank:DB00569 "DrugBank" is_a: CHEBI:38700 relationship: has_part CHEBI:61038 [Term] id: CHEBI:61039 name: sodium 2-acetamido-2-deoxy-3-O-(6-O-sulfonato-beta-D-glucosyl)-beta-D-galactose def: "An organic sodium salt comprising the monosodium salt of 6-O-sulfo-beta-D-glucosyl-(1->3)-N-acetyl-beta-D-galactosamine" [] synonym: "sodium 2-acetamido-2-deoxy-3-O-(6-O-sulfonato-beta-D-glucopyranosyl)-beta-D-galactopyranose" RELATED [IUPAC:] synonym: "sodium 6-O-sulfonato-beta-D-glucopyranosyl-(1->3)-2-acetamido-2-deoxy-beta-D-galactopyranose" EXACT IUPAC_NAME [IUPAC:] synonym: "C14H24NNaO14S" RELATED FORMULA [ChEBI:] synonym: "[Na+].CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](COS([O-])(=O)=O)[C@@H](O)[C@H](O)[C@H]1O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C14H25NO14S.Na/c1-4(17)15-7-12(9(19)5(2-16)27-13(7)22)29-14-11(21)10(20)8(18)6(28-14)3-26-30(23,24)25;/h5-14,16,18-22H,2-3H2,1H3,(H,15,17)(H,23,24,25);/q;+1/p-1/t5-,6-,7-,8-,9-,10+,11-,12-,13-,14+;/m1./s1" RELATED InChI [ChEBI:] synonym: "InChIKey=YODWMXAQPLYMJP-CZTWLNPSSA-M" RELATED InChIKey [ChEBI:] xref: CiteXplore:16164415 "PubMed citation" is_a: CHEBI:38700 relationship: has_part CHEBI:61041 [Term] id: CHEBI:61045 name: sodium N-acetyl-beta-D-galactosaminyl-(1->6)-[6-O-sulfonato-beta-D-glucosyl-(1->3)]-N-acetyl-beta-D-galactosamine def: "An organic sodium salt comprising the monosodium salt of N-acetyl-beta-D-galactosaminyl-(1->6)-[6-O-sulfo-beta-D-glucosyl-(1->3)]-N-acetyl-beta-D-galactosamine." [] synonym: "sodium 2-acetamido-2-deoxy-beta-D-galactosyl-(1->6)-[6-O-sulfonato-beta-D-glucosyl-(1->3)]-2-acetamido-2-deoxy-beta-D-galactose" RELATED [ChEBI:] synonym: "Na beta-D-GalNAc-(1->6)-[6-O-O3S-beta-D-Glc-(1->3)]-beta-D-GalNAc" RELATED [ChEBI:] synonym: "sodium 2-acetamido-2-deoxy-beta-D-galactopyranosyl-(1->6)-[6-O-sulfonato-beta-D-glucopyranosyl-(1->3)]-2-acetamido-2-deoxy-beta-D-galactopyranose" EXACT IUPAC_NAME [IUPAC:] synonym: "Na beta-D-GalpNAc-(1->6)-[6-O-O3S-beta-D-Glcp-(1->3)]-beta-D-GalpNAc" RELATED [ChEBI:] synonym: "C22H37N2NaO19S" RELATED FORMULA [ChEBI:] synonym: "[Na+].CC(=O)N[C@H]1[C@H](O)O[C@H](CO[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](O)[C@@H]1O[C@@H]1O[C@H](COS([O-])(=O)=O)[C@@H](O)[C@H](O)[C@H]1O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C22H38N2O19S.Na/c1-6(26)23-11-16(31)13(28)8(3-25)41-21(11)38-4-9-15(30)19(12(20(34)40-9)24-7(2)27)43-22-18(33)17(32)14(29)10(42-22)5-39-44(35,36)37;/h8-22,25,28-34H,3-5H2,1-2H3,(H,23,26)(H,24,27)(H,35,36,37);/q;+1/p-1/t8-,9-,10-,11-,12-,13+,14-,15+,16-,17+,18-,19-,20-,21-,22+;/m1./s1" RELATED InChI [ChEBI:] synonym: "InChIKey=BZKDTXZLXUULRO-GDZJUOCTSA-M" RELATED InChIKey [ChEBI:] xref: CiteXplore:16164415 "PubMed citation" is_a: CHEBI:38700 relationship: has_part CHEBI:61046 [Term] id: CHEBI:61052 name: disodium 6-O-sulfonato-beta-D-glucosyl-(1->3)-[6-O-sulfonato-beta-D-glucosyl-(1->3)-N-acetyl-beta-D-galactosaminyl-(1->6)]-N-acetyl-beta-D-galactosamine def: "An organic sodium salt comprising the disodium salt of 6-O-sulfo-beta-D-glucosyl-(1->3)-[6-O-sulfo-beta-D-glucosyl-(1->3)-N-acetyl-beta-D-galactosaminyl-(1->6)]-N-acetyl-beta-D-galactosamine" [] synonym: "Na2 6-O-O3S-beta-D-Glc-(1->3)-[6-O-O3S-beta-D-Glc-(1->3)-beta-D-GlcNAc-(1->6)]-beta-D-GalNAc" RELATED [ChEBI:] synonym: "disodium 6-O-sulfonato-beta-D-glucopyranosyl-(1->3)-[6-O-sulfonato-beta-D-glucopyranosyl-(1->3)-2-acetamido-2-deoxy-beta-D-galactopyranosyl-(1->6)]-2-acetamido-2-deoxy-beta-D-galactopyranose" EXACT IUPAC_NAME [IUPAC:] synonym: "C28H46N2Na2O27S2" RELATED FORMULA [ChEBI:] synonym: "[Na+].[Na+].CC(=O)N[C@H]1[C@H](O)O[C@H](CO[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@H]3O[C@H](COS([O-])(=O)=O)[C@@H](O)[C@H](O)[C@H]3O)[C@H]2NC(C)=O)[C@H](O)[C@@H]1O[C@@H]1O[C@H](COS([O-])(=O)=O)[C@@H](O)[C@H](O)[C@H]1O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C28H48N2O27S2.2Na/c1-7(32)29-13-23(56-27-21(40)19(38)15(34)11(54-27)5-50-58(43,44)45)18(37)10(52-25(13)42)4-49-26-14(30-8(2)33)24(17(36)9(3-31)53-26)57-28-22(41)20(39)16(35)12(55-28)6-51-59(46,47)48;;/h9-28,31,34-42H,3-6H2,1-2H3,(H,29,32)(H,30,33)(H,43,44,45)(H,46,47,48);;/q;2*+1/p-2/t9-,10-,11-,12-,13-,14-,15-,16-,17+,18+,19+,20+,21-,22-,23-,24-,25-,26-,27+,28+;;/m1../s1" RELATED InChI [ChEBI:] synonym: "InChIKey=FBWQYROMSQCSTM-XTBFJDAWSA-L" RELATED InChIKey [ChEBI:] xref: CiteXplore:16164415 "PubMed citation" is_a: CHEBI:38700 relationship: has_part CHEBI:61054 [Term] id: CHEBI:61217 name: monosodium benzylpenicilloate def: "An organic sodium salt having benzylpenicilloate as the counterion." [] synonym: "monosodium D-alpha-benzylpenicilloate" RELATED [ChEBI:] synonym: "sodium (2R,4S)-2-{(R)-carboxylato[(phenylacetyl)amino]methyl}-5,5-dimethyl-1,3-thiazolidin-3-ium-4-carboxylate" EXACT IUPAC_NAME [IUPAC:] synonym: "C16H19N2NaO5S" RELATED FORMULA [ChEBI:] synonym: "[Na+].[H][C@]1([NH2+][C@@H](C([O-])=O)C(C)(C)S1)[C@H](NC(=O)Cc1ccccc1)C([O-])=O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C16H20N2O5S.Na/c1-16(2)12(15(22)23)18-13(24-16)11(14(20)21)17-10(19)8-9-6-4-3-5-7-9;/h3-7,11-13,18H,8H2,1-2H3,(H,17,19)(H,20,21)(H,22,23);/q;+1/p-1/t11-,12-,13+;/m0./s1" RELATED InChI [ChEBI:] synonym: "InChIKey=UFLWEQBVKFKCSB-GRMSKOJTSA-M" RELATED InChIKey [ChEBI:] xref: CiteXplore:13761469 "PubMed citation" is_a: CHEBI:38700 relationship: has_part CHEBI:61220 [Term] id: CHEBI:61226 name: 2-benzyl-4-sodium oxidomethylene-5-oxazolone def: "An organic sodium salt having 2-benzyl-4-oxidomethylene-5-oxazolone as the counterion." [] synonym: "sodium (2-benzyl-5-oxo-1,3-oxazol-4(5H)-ylidene)methanolate" EXACT IUPAC_NAME [IUPAC:] synonym: "2-benzyl-4-sodium hydroxymethylene-5-oxazolone" RELATED [ChEBI:] synonym: "2-benzyl-4-hydroxymethylene-5-oxazolinone sodium salt" RELATED [ChEBI:] synonym: "C11H8NNaO3" RELATED FORMULA [ChEBI:] synonym: "[Na+].[H]C([O-])=C1N=C(Cc2ccccc2)OC1=O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C11H9NO3.Na/c13-7-9-11(14)15-10(12-9)6-8-4-2-1-3-5-8;/h1-5,7,13H,6H2;/q;+1/p-1" RELATED InChI [ChEBI:] synonym: "InChIKey=NPXVQIOSITVUNQ-UHFFFAOYSA-M" RELATED InChIKey [ChEBI:] is_a: CHEBI:38700 relationship: has_part CHEBI:61228 [Term] id: CHEBI:9561 name: thiopental sodium def: "An organic sodium salt having thiopental(1-) as the counter-ion." [] synonym: "thiopental sodium" RELATED INN [ChemIDplus:] synonym: "sodium (+-)-5-ethyl-5-(1-methylbutyl)-2-thiobarbiturate" RELATED [ChemIDplus:] synonym: "sodium pentothal" RELATED [ChemIDplus:] synonym: "sodium 5-ethyl-5-(1-methylbutyl)-2-thiobarbiturate" RELATED [ChemIDplus:] synonym: "thiopentone sodium" RELATED [ChEBI:] synonym: "sodium thiopental" RELATED [ChemIDplus:] synonym: "thiopental sodique" RELATED INN [ChemIDplus:] synonym: "monosodium 5-ethyl-5-(1-methylbutyl) thiobarbiturate" RELATED [ChemIDplus:] synonym: "penthiobarbital sodium" RELATED [ChemIDplus:] synonym: "thiopentalum natricum" RELATED INN [ChemIDplus:] synonym: "tiopental sodico" RELATED INN [ChemIDplus:] synonym: "sodium thiopentobarbital" RELATED [ChemIDplus:] synonym: "sodium 5-ethyl-4,6-dioxo-5-(pentan-2-yl)-1,4,5,6-tetrahydropyrimidine-2-thiolate" EXACT IUPAC_NAME [IUPAC:] synonym: "sodium thiopentone" RELATED [ChemIDplus:] synonym: "sodium pentothiobarbital" RELATED [ChemIDplus:] synonym: "C11H17N2NaO2S" RELATED FORMULA [ChEBI:] synonym: "C11H17N2O2S.Na" RELATED FORMULA [KEGG COMPOUND:] synonym: "[Na+].CCCC(C)C1(CC)C(=O)NC([S-])=NC1=O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C11H18N2O2S.Na/c1-4-6-7(3)11(5-2)8(14)12-10(16)13-9(11)15;/h7H,4-6H2,1-3H3,(H2,12,13,14,15,16);/q;+1/p-1" RELATED InChI [ChEBI:] synonym: "InChIKey=AWLILQARPMWUHA-UHFFFAOYSA-M" RELATED InChIKey [ChEBI:] xref: ChemIDplus:71-73-8 "CAS Registry Number" xref: KEGG DRUG:71-73-8 "CAS Registry Number" xref: Patent:US2153729 "Patent" xref: Reaxys:5198928 "Reaxys Registry Number" xref: Wikipedia:Thiopental "Wikipedia" xref: Patent:US2876225 "Patent" xref: DrugBank:DB00599 "DrugBank" xref: KEGG DRUG:D00714 "KEGG DRUG" is_a: CHEBI:38700 relationship: has_role CHEBI:38877 relationship: has_part CHEBI:61485 [Term] id: CHEBI:62956 name: sodium dimethylarsinate def: "The organic sodium salt of dimethylarsinate." [] synonym: "sodium dimethyl arsonide" RELATED [SUBMITTER:] synonym: "((Dimethylarsino)oxy)sodium As-oxide" RELATED [ChemIDplus:] synonym: "Dimethylarsinic acid sodium salt" RELATED [ChemIDplus:] synonym: "Cacodylate de sodium" RELATED [ChemIDplus:] synonym: "Hydroxydimethylarsine oxide, sodium salt" RELATED [ChemIDplus:] synonym: "Sodium salt of cacodylic acid" RELATED [ChemIDplus:] synonym: "Sodium dimethyl arsinate" RELATED [ChemIDplus:] synonym: "sodium cacodylate" RELATED [SUBMITTER:] synonym: "((Dimethylarsino)oxy)sodium-As-oxide" RELATED [ChemIDplus:] synonym: "Cacodylic acid sodium salt" RELATED [ChemIDplus:] synonym: "C2H6AsNaO2" RELATED FORMULA [ChEBI:] synonym: "[Na+].C[As](C)([O-])=O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C2H7AsO2.Na/c1-3(2,4)5;/h1-2H3,(H,4,5);/q;+1/p-1" RELATED InChI [ChEBI:] synonym: "InChIKey=IHQKEDIOMGYHEB-UHFFFAOYSA-M" RELATED InChIKey [ChEBI:] xref: Reaxys:3702348 "Reaxys Registry Number" xref: SUBMITTER:124-65-2 "CAS Registry Number" xref: CiteXplore:161110 "PubMed citation" is_a: CHEBI:38700 relationship: has_part CHEBI:16223 relationship: has_role CHEBI:35225 relationship: has_role CHEBI:24527 [Term] id: CHEBI:62955 name: sodium 2-(N-morpholino)ethanesulfonate def: "The organic sodium salt that is the sodium salt of 2-(N-morpholino)ethanesulfonic acid." [] synonym: "MES sodium salt" RELATED [SUBMITTER:] synonym: "sodium MES" RELATED [SUBMITTER:] synonym: "MES-Na" RELATED [ChEBI:] synonym: "2-(N-Morpholino)ethanesulfonic acid sodium salt" RELATED [SUBMITTER:] synonym: "sodium 2-(morpholin-4-yl)ethanesulfonate" EXACT IUPAC_NAME [IUPAC:] synonym: "sodium 2-morpholin-4-ylethanesulfonate" RELATED [IUPAC:] synonym: "4-Morpholineethanesulfonic acid, sodium salt (1:1)" RELATED [ChemIDplus:] synonym: "Sodium 4-morpholin-1-ylethylsulphonate" RELATED [ChemIDplus:] synonym: "4-Morpholineethanesulfonic acid, sodium salt" RELATED [ChemIDplus:] synonym: "C6H12NNaO4S" RELATED FORMULA [ChEBI:] synonym: "[Na+].[O-]S(=O)(=O)CCN1CCOCC1" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C6H13NO4S.Na/c8-12(9,10)6-3-7-1-4-11-5-2-7;/h1-6H2,(H,8,9,10);/q;+1/p-1" RELATED InChI [ChEBI:] synonym: "InChIKey=IRHWMYKYLWNHTL-UHFFFAOYSA-M" RELATED InChIKey [ChEBI:] xref: ChemIDplus:71119-23-8 "CAS Registry Number" xref: SUBMITTER:3765682 "Beilstein Registry Number" xref: Reaxys:3765682 "Reaxys Registry Number" xref: SUBMITTER:71119-23-8 "CAS Registry Number" is_a: CHEBI:38700 relationship: has_part CHEBI:39006 [Term] id: CHEBI:62965 name: sodium formate def: "An organic sodium salt which is the monosodium salt of formic acid." [] synonym: "Sodium methanoate" RELATED [NIST Chemistry WebBook:] synonym: "formic acid, sodium salt" RELATED [SUBMITTER:] synonym: "Formic acid, sodium salt (1:1)" RELATED [ChemIDplus:] synonym: "FORMIC ACID, NA SALT" RELATED [ChemIDplus:] synonym: "sodium formiate" RELATED [ChEBI:] synonym: "CHNaO2" RELATED FORMULA [ChEBI:] synonym: "[Na+].[H]C([O-])=O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/CH2O2.Na/c2-1-3;/h1H,(H,2,3);/q;+1/p-1" RELATED InChI [ChEBI:] synonym: "InChIKey=HLBBKKJFGFRGMU-UHFFFAOYSA-M" RELATED InChIKey [ChEBI:] xref: Reaxys:3595134 "Reaxys Registry Number" xref: NIST Chemistry WebBook:141-53-7 "CAS Registry Number" xref: CiteXplore:21760741 "PubMed citation" xref: SUBMITTER:141-53-7 "CAS Registry Number" is_a: CHEBI:38700 relationship: has_role CHEBI:35225 relationship: has_part CHEBI:15740 [Term] id: CHEBI:62983 name: sodium malonate def: "The organic sodium salt formed between sodium and malonic acid (molar ratio 2:1)." [] synonym: "disodium propanedioate" EXACT IUPAC_NAME [IUPAC:] synonym: "Propanedioic acid, sodium salt (1:2)" RELATED [ChemIDplus:] synonym: "sodium malonate dibasic" RELATED [SUBMITTER:] synonym: "Malonic acid, disodium salt" RELATED [ChemIDplus:] synonym: "Propanedioic acid, disodium salt" RELATED [ChemIDplus:] synonym: "malonic acid disodium salt" RELATED [SUBMITTER:] synonym: "disodium malonate" RELATED [SUBMITTER:] synonym: "Malonic acid, sodium salt" RELATED [ChemIDplus:] synonym: "C3H2Na2O4" RELATED FORMULA [ChEBI:] synonym: "[Na+].[Na+].[O-]C(=O)CC([O-])=O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C3H4O4.2Na/c4-2(5)1-3(6)7;;/h1H2,(H,4,5)(H,6,7);;/q;2*+1/p-2" RELATED InChI [ChEBI:] synonym: "InChIKey=PRWXGRGLHYDWPS-UHFFFAOYSA-L" RELATED InChIKey [ChEBI:] xref: Reaxys:3917013 "Reaxys Registry Number" xref: ChemIDplus:141-95-7 "CAS Registry Number" xref: CiteXplore:IND43917332 "Agricola citation" xref: Patent:CN101589666 "Patent" is_a: CHEBI:38700 relationship: has_part CHEBI:15792 [Term] id: CHEBI:63017 name: sodium L-tartrate def: "The organic sodium salt that is the disodium salt of L-tartaric acid." [] synonym: "Tartaric acid, disodium salt" RELATED [ChemIDplus:] synonym: "disodium (R-(R*,R*))-2,3-dihydroxybutanedioate" RELATED [ChemIDplus:] synonym: "Sodium L-(+)-tartrate" RELATED [ChemIDplus:] synonym: "Bisodium tartrate" RELATED [ChemIDplus:] synonym: "disodium tartrate" RELATED [SUBMITTER:] synonym: "(R-(R*,R*))-2,3-dihydroxybutanedioic acid, disodium salt" RELATED [ChemIDplus:] synonym: "Sodium tartrate" RELATED [ChEBI:] synonym: "disodium (2R,3R)-2,3-dihydroxybutanedioate" EXACT IUPAC_NAME [IUPAC:] synonym: "Disodium salt of L-(+)-tartaric acid" RELATED [ChemIDplus:] synonym: "Disodium L-(+)-tartrate" RELATED [ChemIDplus:] synonym: "C4H4Na2O6" RELATED FORMULA [ChEBI:] synonym: "[Na+].[Na+].O[C@H]([C@@H](O)C([O-])=O)C([O-])=O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C4H6O6.2Na/c5-1(3(7)8)2(6)4(9)10;;/h1-2,5-6H,(H,7,8)(H,9,10);;/q;2*+1/p-2/t1-,2-;;/m1../s1" RELATED InChI [ChEBI:] synonym: "InChIKey=HELHAJAZNSDZJO-OLXYHTOASA-L" RELATED InChIKey [ChEBI:] xref: Reaxys:5319817 "Reaxys Registry Number" xref: ChemIDplus:868-18-8 "CAS Registry Number" xref: Patent:CN101643409 "Patent" xref: Wikipedia:Sodium_tartrate "Wikipedia" is_a: CHEBI:38700 relationship: has_part CHEBI:30924 relationship: has_role CHEBI:63047 [Term] id: CHEBI:63019 name: potassium sodium L-tartrate def: "The organic sodium and potassium salt of L-tartaric acid (mol ratio 1:1:1)." [] synonym: "sodium potassium tartrate" RELATED [ChEBI:] synonym: "Seignette salt" RELATED [ChemIDplus:] synonym: "Monopotassium monosodium tartrate" RELATED [ChemIDplus:] synonym: "Sodium potassium L-tartrate" RELATED [ChemIDplus:] synonym: "2,3-Dihydroxybutanedioic acid, monopotassium monosodium salt" RELATED [ChemIDplus:] synonym: "potassium sodium (2R,3R)-2,3-dihydroxybutanedioate" EXACT IUPAC_NAME [IUPAC:] synonym: "Sodium potassium salt of L-(+)-tartaric acid" RELATED [ChemIDplus:] synonym: "Rochelle salt" RELATED [ChemIDplus:] synonym: "Tartaric acid, monopotassium monosodium salt" RELATED [ChemIDplus:] synonym: "ROCHELLE SALTS" RELATED [SUBMITTER:] synonym: "C4H4KNaO6" RELATED FORMULA [ChEBI:] synonym: "[Na+].[K+].O[C@H]([C@@H](O)C([O-])=O)C([O-])=O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C4H6O6.K.Na/c5-1(3(7)8)2(6)4(9)10;;/h1-2,5-6H,(H,7,8)(H,9,10);;/q;2*+1/p-2/t1-,2-;;/m1../s1" RELATED InChI [ChEBI:] synonym: "InChIKey=LJCNRYVRMXRIQR-OLXYHTOASA-L" RELATED InChIKey [ChEBI:] xref: Wikipedia:Potassium_sodium_tartrate "Wikipedia" xref: Reaxys:5789357 "Reaxys Registry Number" xref: ChemIDplus:304-59-6 "CAS Registry Number" is_a: CHEBI:26218 is_a: CHEBI:38700 relationship: has_part CHEBI:30924 relationship: has_role CHEBI:50503 [Term] id: CHEBI:63055 name: disodium PIPES def: "An organic salt, being the disodium salt of 2,2'-piperazine-1,4-diylbisethanesulfonic acid (PIPES), a buffering agent." [] synonym: "PIPES disodium salt" RELATED [SUBMITTER:] synonym: "Piperazine, N,N'-bis(2-ethanesulfonic acid) disodium salt" RELATED [ChemIDplus:] synonym: "1,4-Piperazinediethanesulfonic acid, disodium salt" RELATED [ChemIDplus:] synonym: "1,4-Piperazinediethanesulfonic acid, sodium salt (1:2)" RELATED [ChemIDplus:] synonym: "disodium 2,2'-piperazine-1,4-diyldiethanesulfonate" EXACT IUPAC_NAME [IUPAC:] synonym: "Disodium piperazine-1,4-diethanesulphonate" RELATED [ChemIDplus:] synonym: "1,4-Piperazinediethanesulfonic acid disodium salt" RELATED [SUBMITTER:] synonym: "Piperazine-1,4-bis(2-ethanesulfonic acid) disodium salt" RELATED [SUBMITTER:] synonym: "C8H16N2Na2O6S2" RELATED FORMULA [ChEBI:] synonym: "[Na+].[Na+].[O-]S(=O)(=O)CCN1CCN(CC1)CCS([O-])(=O)=O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C8H18N2O6S2.2Na/c11-17(12,13)7-5-9-1-2-10(4-3-9)6-8-18(14,15)16;;/h1-8H2,(H,11,12,13)(H,14,15,16);;/q;2*+1/p-2" RELATED InChI [ChEBI:] synonym: "InChIKey=GMHSTJRPSVFLMT-UHFFFAOYSA-L" RELATED InChIKey [ChEBI:] xref: ChemIDplus:76836-02-7 "CAS Registry Number" xref: Reaxys:9453872 "Reaxys Registry Number" is_a: CHEBI:38700 relationship: has_part CHEBI:39034 relationship: has_role CHEBI:35225 [Term] id: CHEBI:63125 name: EDTA trisodium salt def: "The organic sodium salt of ethylenediaminetetraacetic acid (EDTA) in which three sodium cations are associated with one trianion of EDTA." [] synonym: "(ethylenedinitrilo)tetraacetic acid trisodium salt" RELATED [ChEBI:] synonym: "N,N'-1,2-ethanediylbis[N-(carboxymethyl)glycine] trisodium salt" RELATED [ChEBI:] synonym: "edetate trisodium" RELATED [ChEBI:] synonym: "EDTA trisodium" RELATED [ChEBI:] synonym: "ethylenediaminetetraacetic acid trisodium salt" RELATED [SUBMITTER:] synonym: "trisodium 2,2'-({2-[(carboxylatomethyl)(carboxymethyl)amino]ethyl}imino)diacetate" EXACT IUPAC_NAME [IUPAC:] synonym: "trisodium ethylenediaminetetraacetate" RELATED [ChEBI:] synonym: "trisodium salt of ethylenediaminetetraacetic acid" RELATED [ChEBI:] synonym: "C10H13N2Na3O8" RELATED FORMULA [ChEBI:] synonym: "[Na+].[Na+].[Na+].OC(=O)CN(CCN(CC([O-])=O)CC([O-])=O)CC([O-])=O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C10H16N2O8.3Na/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;;;/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);;;/q;3*+1/p-3" RELATED InChI [ChEBI:] synonym: "InChIKey=QZKRHPLGUJDVAR-UHFFFAOYSA-K" RELATED InChIKey [ChEBI:] xref: Reaxys:5843772 "Reaxys Registry Number" is_a: CHEBI:38700 relationship: has_part CHEBI:63131 [Term] id: CHEBI:63077 name: monosodium PIPES def: "An organic salt that is the monosodium salt of 2,2'-piperazine-1,4-diylbisethanesulfonic acid (PIPES), a buffering agent." [] synonym: "sodium 2-[4-(2-sulfoethyl)piperazin-1-yl]ethanesulfonate" EXACT IUPAC_NAME [IUPAC:] synonym: "sodium PIPES" RELATED [ChEBI:] synonym: "Sodium hydrogen piperazine-1,4-diethanesulphonate" RELATED [ChemIDplus:] synonym: "1,4-Piperazinediethanesulfonic acid, sodium salt (1:1)" RELATED [ChemIDplus:] synonym: "1,4-piperazinediethanesulfonic acid sodium salt" RELATED [SUBMITTER:] synonym: "piperazine-N,N'-bis(2-ethanesulfonic acid) sodium salt" RELATED [SUBMITTER:] synonym: "Piperazine-1,4-diethanesulfonate, sodium salt" RELATED [ChemIDplus:] synonym: "PIPES monosodium salt" RELATED [ChEBI:] synonym: "PIPES monosodium" RELATED [ChemIDplus:] synonym: "1,4-Piperazinediethanesulfonic acid, monosodium salt" RELATED [ChemIDplus:] synonym: "C8H17N2NaO6S2" RELATED FORMULA [ChEBI:] synonym: "[Na+].OS(=O)(=O)CCN1CCN(CC1)CCS([O-])(=O)=O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C8H18N2O6S2.Na/c11-17(12,13)7-5-9-1-2-10(4-3-9)6-8-18(14,15)16;/h1-8H2,(H,11,12,13)(H,14,15,16);/q;+1/p-1" RELATED InChI [ChEBI:] synonym: "InChIKey=OGGAIRCLBMGXCZ-UHFFFAOYSA-M" RELATED InChIKey [ChEBI:] xref: ChemIDplus:10010-67-0 "CAS Registry Number" xref: Reaxys:4630397 "Reaxys Registry Number" is_a: CHEBI:38700 relationship: has_role CHEBI:35225 relationship: has_part CHEBI:39034 [Term] id: CHEBI:63639 name: tetrasulfocyanine def: "An organic sodium salt which is the trisodium salt of tetrasulfocyanine acid. It is an in vivo near-IR fluorescent probe for tumour imaging." [] synonym: "TSC" RELATED [IUPAC:] synonym: "trisodium 2-{(1E,3E,5E,7E)-7-[3,3-dimethyl-5-sulfonato-1-(2-sulfonatoethyl)-1,3-dihydro-2H-indol-2-ylidene]-4-methylhepta-1,3,5-trien-1-yl}-3,3-dimethyl-1-(2-sulfonatoethyl)-3H-indolium-5-sulfonate" EXACT IUPAC_NAME [IUPAC:] synonym: "C32H35N2Na3O12S4" RELATED FORMULA [ChEBI:] synonym: "[Na+].[Na+].[Na+].CC(\\C=C\\C=C1\\N(CCS([O-])(=O)=O)c2ccc(cc2C1(C)C)S([O-])(=O)=O)=C/C=C/C1=[N+](CCS([O-])(=O)=O)c2ccc(cc2C1(C)C)S([O-])(=O)=O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C32H38N2O12S4.3Na/c1-22(8-6-10-29-31(2,3)25-20-23(49(41,42)43)12-14-27(25)33(29)16-18-47(35,36)37)9-7-11-30-32(4,5)26-21-24(50(44,45)46)13-15-28(26)34(30)17-19-48(38,39)40;;;/h6-15,20-21H,16-19H2,1-5H3,(H3-,35,36,37,38,39,40,41,42,43,44,45,46);;;/q;3*+1/p-3" RELATED InChI [ChEBI:] synonym: "InChIKey=HAFZTWYRKGACLU-UHFFFAOYSA-K" RELATED InChIKey [ChEBI:] xref: CiteXplore:18241888 "PubMed citation" xref: Patent:EP2289562 "Patent" xref: CiteXplore:20003891 "PubMed citation" xref: CiteXplore:17329818 "PubMed citation" relationship: has_role CHEBI:39442 is_a: CHEBI:38700 relationship: has_part CHEBI:68630 [Term] id: CHEBI:8361 name: pravastatin sodium def: "An organic sodium salt that is the sodium salt of pravastatin. A reversible inhibitor of 3-hydroxy-3-methylglutaryl-coenzyme A (HMG-CoA), it is used for lowering cholesterol and preventing cardiovascular disease. It is one of the lower potency statins, but has the advantage of fewer side effects compared with lovastatin and simvastatin." [] synonym: "sodium (3R,5R)-3,5-dihydroxy-7-[(1S,2S,6S,8S,8aR)-6-hydroxy-2-methyl-8-{[(2S)-2-methylbutanoyl]oxy}-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]heptanoate" EXACT IUPAC_NAME [IUPAC:] synonym: "C23H35NaO7" RELATED FORMULA [ChEBI:] synonym: "[Na+].[H][C@]12[C@H](C[C@H](O)C=C1C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC([O-])=O)OC(=O)[C@@H](C)CC" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C23H36O7.Na/c1-4-13(2)23(29)30-20-11-17(25)9-15-6-5-14(3)19(22(15)20)8-7-16(24)10-18(26)12-21(27)28;/h5-6,9,13-14,16-20,22,24-26H,4,7-8,10-12H2,1-3H3,(H,27,28);/q;+1/p-1/t13-,14-,16+,17+,18+,19-,20-,22-;/m0./s1" RELATED InChI [ChEBI:] synonym: "InChIKey=VWBQYTRBTXKKOG-IYNICTALSA-M" RELATED InChIKey [ChEBI:] xref: CiteXplore:1926908 "PubMed citation" xref: Wikipedia:Parvaststin "Wikipedia" xref: KEGG DRUG:81131-70-6 "CAS Registry Number" xref: CiteXplore:1680649 "PubMed citation" xref: KEGG DRUG:D00893 "KEGG DRUG" xref: ChemIDplus:81131-70-6 "CAS Registry Number" xref: Reaxys:4224939 "Reaxys Registry Number" xref: CiteXplore:1425808 "PubMed citation" xref: DrugBank:DB00175 "DrugBank" xref: HMDB:HMDB05022 "HMDB" is_a: CHEBI:38700 relationship: has_role CHEBI:35664 relationship: has_part CHEBI:63660 relationship: has_role CHEBI:35821 [Term] id: CHEBI:63614 name: olsalazine sodium alt_id: CHEBI:7771 def: "An organic sodium salt that is the disodium salt of 3,3'-azobis(6-hydroxybenzoic acid) (olsalazine). Effective in the treatment of inflammatory bowel disease and ulcerative colitis. Mechanism of action unknown, but appears to be topical" [] synonym: "Disodium 5,5'-azodisalicylate" RELATED [ChemIDplus:] synonym: "disodium 3,3'-azobis (6-hydroxybenzoate)" RELATED [ChEBI:] synonym: "disodium 3,3'-diazene-1,2-diylbis(6-hydroxybenzoate)" EXACT IUPAC_NAME [IUPAC:] synonym: "C14H8N2Na2O6" RELATED FORMULA [ChEBI:] synonym: "[Na+].[Na+].Oc1ccc(cc1C([O-])=O)N=Nc1ccc(O)c(c1)C([O-])=O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C14H10N2O6.2Na/c17-11-3-1-7(5-9(11)13(19)20)15-16-8-2-4-12(18)10(6-8)14(21)22;;/h1-6,17-18H,(H,19,20)(H,21,22);;/q;2*+1/p-2" RELATED InChI [ChEBI:] synonym: "InChIKey=ZJEFYLVGGFISGT-UHFFFAOYSA-L" RELATED InChIKey [ChEBI:] xref: KEGG DRUG:6054-98-4 "CAS Registry Number" xref: Reaxys:9027885 "Reaxys Registry Number" xref: CiteXplore:1760451 "PubMed citation" xref: CiteXplore:8102399 "PubMed citation" xref: DrugBank:DB01250 "DrugBank" xref: CiteXplore:1442711 "PubMed citation" xref: CiteXplore:2356752 "PubMed citation" xref: CiteXplore:15555743 "PubMed citation" xref: ChemIDplus:6054-98-4 "CAS Registry Number" xref: CiteXplore:1359520 "PubMed citation" xref: CiteXplore:3203708 "PubMed citation" xref: CiteXplore:9726382 "PubMed citation" xref: CiteXplore:3609069 "PubMed citation" xref: CiteXplore:2890550 "PubMed citation" xref: KEGG DRUG:D00727 "KEGG DRUG" xref: CiteXplore:1711964 "PubMed citation" xref: CiteXplore:12000534 "PubMed citation" xref: CiteXplore:3448800 "PubMed citation" xref: CiteXplore:11534339 "PubMed citation" is_a: CHEBI:38700 relationship: has_role CHEBI:35475 relationship: has_role CHEBI:50266 relationship: has_part CHEBI:63719 [Term] id: CHEBI:63722 name: pemetrexed disodium def: "An organic sodium salt that is the disodium salt of N-{4-[2-(2-amino-4-oxo-4,7-dihydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl}-L-glutamic acid. Inhibits thymidylate synthase (TS), 421 dihydrofolate reductase (DHFR), and glycinamide ribonucleotide formyltransferase (GARFT)." [] synonym: "disodium (2S)-2-({4-[2-(2-amino-4-oxo-4,7-dihydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl}amino)pentanedioate" RELATED [IUPAC:] synonym: "disodium N-{4-[2-(2-amino-4-oxo-4,7-dihydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl}-L-glutamate" EXACT IUPAC_NAME [IUPAC:] synonym: "C20H19N5Na2O6" RELATED FORMULA [ChEBI:] synonym: "[Na+].[Na+].Nc1nc(=O)c2c(CCc3ccc(cc3)C(=O)N[C@@H](CCC([O-])=O)C([O-])=O)c[nH]c2[nH]1" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C20H21N5O6.2Na/c21-20-24-16-15(18(29)25-20)12(9-22-16)6-3-10-1-4-11(5-2-10)17(28)23-13(19(30)31)7-8-14(26)27;;/h1-2,4-5,9,13H,3,6-8H2,(H,23,28)(H,26,27)(H,30,31)(H4,21,22,24,25,29);;/q;2*+1/p-2/t13-;;/m0../s1" RELATED InChI [ChEBI:] synonym: "InChIKey=NYDXNILOWQXUOF-GXKRWWSZSA-L" RELATED InChIKey [ChEBI:] xref: Patent:EP2301909 "Patent" xref: Patent:CN101411710 "Patent" xref: DrugBank:DB00642 "DrugBank" xref: Patent:WO2010028105 "Patent" xref: KEGG DRUG:150399-23-8 "CAS Registry Number" xref: Patent:WO2011064256 "Patent" xref: Patent:EP2334685 "Patent" xref: Patent:US2011196154 "Patent" xref: Patent:US2011124861 "Patent" xref: Patent:CN101560206 "Patent" xref: CiteXplore:20209614 "PubMed citation" xref: KEGG DRUG:D03828 "KEGG DRUG" xref: Reaxys:8964395 "Reaxys Registry Number" xref: ChemIDplus:150399-23-8 "CAS Registry Number" xref: Patent:US2009181990 "Patent" xref: Patent:WO2011019986 "Patent" xref: CiteXplore:19137122 "PubMed citation" is_a: CHEBI:38700 relationship: has_role CHEBI:35610 relationship: has_role CHEBI:35221 relationship: has_role CHEBI:50683 relationship: has_role CHEBI:63721 relationship: has_role CHEBI:63720 relationship: has_part CHEBI:63724 [Term] id: CHEBI:63723 name: pemetrexed disodium heptahydrate def: "An organic sodium salt that is the heptahydrate form of pemetrexed disodium. Inhibits thymidylate synthase (TS), 421 dihydrofolate reductase (DHFR), and glycinamide ribonucleotide formyltransferase (GARFT)." [] synonym: "Alimta" RELATED BRAND_NAME [KEGG DRUG:] synonym: "disodium N-{4-[2-(2-amino-4-oxo-4,7-dihydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl}-L-glutamate--water (1/7)" EXACT IUPAC_NAME [IUPAC:] synonym: "Pemetrexed sodium hydrate" RELATED [KEGG DRUG:] synonym: "C20H33N5Na2O13" RELATED FORMULA [ChEBI:] synonym: "O.O.O.O.O.O.O.[Na+].[Na+].Nc1nc(=O)c2c(CCc3ccc(cc3)C(=O)N[C@@H](CCC([O-])=O)C([O-])=O)c[nH]c2[nH]1" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C20H21N5O6.2Na.7H2O/c21-20-24-16-15(18(29)25-20)12(9-22-16)6-3-10-1-4-11(5-2-10)17(28)23-13(19(30)31)7-8-14(26)27;;;;;;;;;/h1-2,4-5,9,13H,3,6-8H2,(H,23,28)(H,26,27)(H,30,31)(H4,21,22,24,25,29);;;7*1H2/q;2*+1;;;;;;;/p-2/t13-;;;;;;;;;/m0........./s1" RELATED InChI [ChEBI:] synonym: "InChIKey=QJVSMHJWAOSBMD-MYXYZBIASA-L" RELATED InChIKey [ChEBI:] xref: DrugBank:DB00642 "DrugBank" xref: KEGG DRUG:D06503 "KEGG DRUG" xref: Reaxys:15489532 "Reaxys Registry Number" is_a: CHEBI:38700 is_a: CHEBI:35505 relationship: has_part CHEBI:63722 relationship: has_role CHEBI:35221 relationship: has_role CHEBI:35610 relationship: has_role CHEBI:50683 relationship: has_role CHEBI:63720 relationship: has_role CHEBI:63721 [Term] id: CHEBI:63827 name: bromosulfophthalein sodium def: "An organic sodium salt that is the disodium salt of bromosulfophthalein." [] synonym: "Disodium phenoltetrabromophthalein sulfonate" RELATED [ChemIDplus:] synonym: "bromosulfophthalein disodium salt" RELATED [ChEBI:] synonym: "4,5,6,7-Tetrabromo-3',3''-disulfophenolphthalein disodium salt" RELATED [ChemIDplus:] synonym: "Bromsulfalein" RELATED [ChemIDplus:] synonym: "Sodium bromosulfalein" RELATED [ChemIDplus:] synonym: "Sodium sulphobromophthalein" RELATED [ChemIDplus:] synonym: "Tetrabromophenolsulfophthalein" RELATED [ChemIDplus:] synonym: "Sodium bromosulfophthalein" RELATED [ChemIDplus:] synonym: "Bromosulfalein" RELATED [ChemIDplus:] synonym: "Sodium sulfobromophthalein" RELATED [ChemIDplus:] synonym: "Bromosulfophthalein" RELATED [ChemIDplus:] synonym: "Bromosulphthalein" RELATED [ChemIDplus:] synonym: "disodium 3,3'-(4,5,6,7-tetrabromo-3-oxo-1,3-dihydro-2-benzofuran-1,1-diyl)bis(6-hydroxybenzenesulfonate)" EXACT IUPAC_NAME [IUPAC:] synonym: "Sulphobromophthalein sodium" RELATED [ChemIDplus:] synonym: "Disodium bromosulfophthalein" RELATED [ChemIDplus:] synonym: "Sodium phenol tetrabromophthalein" RELATED [ChemIDplus:] synonym: "C20H8Br4Na2O10S2" RELATED FORMULA [ChEBI:] synonym: "[Na+].[Na+].Oc1ccc(cc1S([O-])(=O)=O)C1(OC(=O)c2c(Br)c(Br)c(Br)c(Br)c12)c1ccc(O)c(c1)S([O-])(=O)=O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C20H10Br4O10S2.2Na/c21-15-13-14(16(22)18(24)17(15)23)20(34-19(13)27,7-1-3-9(25)11(5-7)35(28,29)30)8-2-4-10(26)12(6-8)36(31,32)33;;/h1-6,25-26H,(H,28,29,30)(H,31,32,33);;/q;2*+1/p-2" RELATED InChI [ChEBI:] synonym: "InChIKey=GHAFORRTMVIXHS-UHFFFAOYSA-L" RELATED InChIKey [ChEBI:] xref: ChemIDplus:71-67-0 "CAS Registry Number" xref: CiteXplore:920954 "PubMed citation" xref: Reaxys:7110446 "Reaxys Registry Number" is_a: CHEBI:38700 is_a: CHEBI:37141 is_a: CHEBI:38831 relationship: has_functional_parent CHEBI:38085 relationship: has_role CHEBI:37958 relationship: has_part CHEBI:63832 [Term] id: CHEBI:63858 name: sulfacetamide sodium def: "An organic sodium salt that is the monohydrate form of sulfacetamide sodium." [] synonym: "sodium acetyl[(4-aminophenyl)sulfonyl]azanide--water (1/1)" EXACT IUPAC_NAME [IUPAC:] synonym: "sulfacetamide sodium hydrate" RELATED [ChEBI:] synonym: "Sulphacetamide Sodium" RELATED [DrugBank:] synonym: "sulfacetamide sodium monohydrate" RELATED [ChEBI:] synonym: "Sodium Sulfacetamide" RELATED [DrugBank:] synonym: "C8H11N2NaO4S" RELATED FORMULA [ChEBI:] synonym: "O.[Na+].CC(=O)[N-]S(=O)(=O)c1ccc(N)cc1" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C8H10N2O3S.Na.H2O/c1-6(11)10-14(12,13)8-4-2-7(9)3-5-8;;/h2-5H,9H2,1H3,(H,10,11);;1H2/q;+1;/p-1" RELATED InChI [ChEBI:] synonym: "InChIKey=IHCDKJZZFOUARO-UHFFFAOYSA-M" RELATED InChIKey [ChEBI:] xref: DrugBank:DB00634 "DrugBank" xref: Reaxys:6994485 "Reaxys Registry Number" xref: KEGG DRUG:D00871 "KEGG DRUG" is_a: CHEBI:38700 is_a: CHEBI:35505 relationship: has_role CHEBI:22582 relationship: has_role CHEBI:35441 relationship: has_role CHEBI:50502 relationship: has_part CHEBI:9327 [Term] id: CHEBI:9327 name: sulfacetamide sodium anhydrous def: "An organic sodium salt that is the monosodium salt of sulfacetamide." [] synonym: "N-Sulfanilylacetamide, sodium salt" RELATED [ChemIDplus:] synonym: "N(1)-acetylsulfanilamide sodium salt" RELATED [ChemIDplus:] synonym: "Sulphacetamide sodium" RELATED [ChemIDplus:] synonym: "N(1)-acetylsulfanilamide sodium" RELATED [ChemIDplus:] synonym: "Sodium sulfanilylacetamide" RELATED [ChemIDplus:] synonym: "Sulfacetamide sodium" RELATED [ChemIDplus:] synonym: "Sodium N-sulfanilylacetamide" RELATED [ChemIDplus:] synonym: "sodium acetyl[(4-aminophenyl)sulfonyl]azanide" EXACT IUPAC_NAME [IUPAC:] synonym: "Sodium sulfacetamide" RELATED [ChemIDplus:] synonym: "C8H9N2NaO3S" RELATED FORMULA [ChEBI:] synonym: "[Na+].CC(=O)[N-]S(=O)(=O)c1ccc(N)cc1" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C8H10N2O3S.Na/c1-6(11)10-14(12,13)8-4-2-7(9)3-5-8;/h2-5H,9H2,1H3,(H,10,11);/q;+1/p-1" RELATED InChI [ChEBI:] synonym: "InChIKey=PQMSFAORUFMASU-UHFFFAOYSA-M" RELATED InChIKey [ChEBI:] xref: CiteXplore:21436973 "PubMed citation" xref: ChemIDplus:127-56-0 "CAS Registry Number" xref: CiteXplore:21925368 "PubMed citation" xref: KEGG COMPOUND:C08051 "KEGG COMPOUND" xref: KEGG COMPOUND:127-56-0 "CAS Registry Number" xref: DrugBank:DB00634 "DrugBank" xref: CiteXplore:20729951 "PubMed citation" xref: CiteXplore:20073032 "PubMed citation" xref: CiteXplore:1133718 "PubMed citation" xref: Reaxys:4220398 "Reaxys Registry Number" xref: Patent:US2011223261 "Patent" xref: CiteXplore:19271381 "PubMed citation" xref: CiteXplore:19330270 "PubMed citation" xref: CiteXplore:22267451 "PubMed citation" xref: CiteXplore:21637903 "PubMed citation" xref: CiteXplore:20232584 "PubMed citation" xref: CiteXplore:20447033 "PubMed citation" is_a: CHEBI:38700 relationship: has_part CHEBI:63857 relationship: has_role CHEBI:50502 relationship: has_role CHEBI:22582 relationship: has_role CHEBI:35441 [Term] id: CHEBI:63928 name: menadione sodium sulfonate def: "An organic sodium salt that is the monosodium salt of menadione sulfonate. A synthetic naphthoquinone without the isoprenoid side chain and biological activity, but can be converted to active vitamin K2, menaquinone, after alkylation in vivo." [] synonym: "menadioni natrii bisulfis" RELATED INN [ChemIDplus:] synonym: "2-Methylnaphthoquinone sodium hydrogen sulfite" RELATED [ChemIDplus:] synonym: "Vitamin K3 sodium bisulfite" RELATED [ChemIDplus:] synonym: "Menaphthone sodium bisulfite" RELATED [ChemIDplus:] synonym: "sodium 2-methyl-1,4-dioxo-1,2,3,4-tetrahydronaphthalene-2-sulfonate" EXACT IUPAC_NAME [IUPAC:] synonym: "Menadione sodium bisulfite anhydrous" RELATED [ChemIDplus:] synonym: "1,2,3,4-Tetrahydro-2-methyl-1,4-dioxo-2-naphthalenesulfonic acid sodium salt" RELATED [ChemIDplus:] synonym: "Menadione sodium hydrogen sulfite" RELATED [ChemIDplus:] synonym: "Sodium menadione bisulfite" RELATED [ChemIDplus:] synonym: "sodium dihydromenadione-2-sulfonate" RELATED [ChEBI:] synonym: "Menaphthone sodium bisulphite" RELATED [ChemIDplus:] synonym: "bisulfito sodico de menadiona" RELATED INN [ChemIDplus:] synonym: "Menachinonum natrium bisulfurosum" RELATED [ChemIDplus:] synonym: "Menadioni natrii hydrogensulfis" RELATED [ChemIDplus:] synonym: "2,3-Dihydro-2-methyl-1,4-naphthoquinone-2-sulfonate sodium" RELATED [ChemIDplus:] synonym: "2-Methyl-1,4-naphthoquinone sodium bisulfite" RELATED [ChemIDplus:] synonym: "bisulfite sodique de menadione" RELATED INN [ChemIDplus:] synonym: "menadione sodium bisulfite" RELATED INN [KEGG DRUG:] synonym: "Natrium menadionsulfonicum" RELATED [ChemIDplus:] synonym: "2-Methyl-1,4-naphthoquinone sodium hydrogen sulfite" RELATED [ChemIDplus:] synonym: "C11H9NaO5S" RELATED FORMULA [ChEBI:] synonym: "[Na+].CC1(CC(=O)c2ccccc2C1=O)S([O-])(=O)=O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C11H10O5S.Na/c1-11(17(14,15)16)6-9(12)7-4-2-3-5-8(7)10(11)13;/h2-5H,6H2,1H3,(H,14,15,16);/q;+1/p-1" RELATED InChI [ChEBI:] synonym: "InChIKey=XDPFHGWVCTXHDX-UHFFFAOYSA-M" RELATED InChIKey [ChEBI:] xref: KEGG DRUG:D08177 "KEGG DRUG" xref: ChemIDplus:130-37-0 "CAS Registry Number" xref: KEGG COMPOUND:C18378 "KEGG COMPOUND" xref: Reaxys:3922400 "Reaxys Registry Number" xref: KEGG COMPOUND:130-37-0 "CAS Registry Number" is_a: CHEBI:38700 relationship: has_functional_parent CHEBI:28869 relationship: has_part CHEBI:63929 [Term] id: CHEBI:63942 name: ferrozine monosodium salt def: "An organic sodium salt that is the monosodium salt of 4,4'-[3-(pyridin-2-yl)-1,2,4-triazine-5,6-diyl]dibenzenesulfonic acid." [] synonym: "3-(2-Pyridyl)-5,6-bis(4-sulfophenyl)-1,2,4-triazine, monosodium salt" RELATED [ChemIDplus:] synonym: "sodium 4-[3-pyridin-2-yl-5-(4-sulfophenyl)-1,2,4-triazin-6-yl]benzenesulfonate" RELATED [IUPAC:] synonym: "hydrogen sodium 4,4'-[3-(pyridin-2-yl)-1,2,4-triazine-5,6-diyl]dibenzenesulfonate" EXACT IUPAC_NAME [IUPAC:] synonym: "Sodium (3-(pyridin-2-yl)-1,2,4-triazine-5,6-diyl)bis(benzene-4,4'-sulphonate)" RELATED [ChemIDplus:] synonym: "Ferrozine sodium" RELATED [ChemIDplus:] synonym: "Ferrozine sodium salt" RELATED [ChemIDplus:] synonym: "C20H13N4NaO6S2" RELATED FORMULA [ChEBI:] synonym: "[H+].[Na+].[O-]S(=O)(=O)c1ccc(cc1)-c1nnc(nc1-c1ccc(cc1)S([O-])(=O)=O)-c1ccccn1" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C20H14N4O6S2.Na/c25-31(26,27)15-8-4-13(5-9-15)18-19(14-6-10-16(11-7-14)32(28,29)30)23-24-20(22-18)17-3-1-2-12-21-17;/h1-12H,(H,25,26,27)(H,28,29,30);/q;+1/p-1" RELATED InChI [ChEBI:] synonym: "InChIKey=ZGVNYCXXBQPDPQ-UHFFFAOYSA-M" RELATED InChIKey [ChEBI:] xref: ChemIDplus:69898-45-9 "CAS Registry Number" xref: CiteXplore:9400694 "PubMed citation" is_a: CHEBI:38700 relationship: has_role CHEBI:38157 relationship: has_part CHEBI:63945 [Term] id: CHEBI:64103 name: sodium butyrate def: "The organic sodium salt of butyric acid." [] synonym: "sodium butanoate" EXACT IUPAC_NAME [IUPAC:] synonym: "Butyrate sodium" RELATED [ChemIDplus:] synonym: "Butyric acid, sodium salt" RELATED [ChemIDplus:] synonym: "Butyric acid sodium salt" RELATED [ChemIDplus:] synonym: "Sodium propanecarboxylate" RELATED [ChemIDplus:] synonym: "Sodium n-butyrate" RELATED [ChemIDplus:] synonym: "Butanoic acid, sodium salt (1:1)" RELATED [ChemIDplus:] synonym: "Butanoic acid, sodium salt" RELATED [ChemIDplus:] synonym: "C4H7NaO2" RELATED FORMULA [ChEBI:] synonym: "[Na+].CCCC([O-])=O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C4H8O2.Na/c1-2-3-4(5)6;/h2-3H2,1H3,(H,5,6);/q;+1/p-1" RELATED InChI [ChEBI:] synonym: "InChIKey=MFBOGIVSZKQAPD-UHFFFAOYSA-M" RELATED InChIKey [ChEBI:] xref: CiteXplore:22067609 "PubMed citation" xref: Wikipedia:Sodium_butyrate "Wikipedia" xref: CiteXplore:22246241 "PubMed citation" xref: CiteXplore:22253909 "PubMed citation" xref: CiteXplore:22288569 "PubMed citation" xref: CiteXplore:21947091 "PubMed citation" xref: Reaxys:3629439 "Reaxys Registry Number" xref: CiteXplore:22338096 "PubMed citation" xref: CiteXplore:22228088 "PubMed citation" xref: CiteXplore:12840228 "PubMed citation" xref: NIST Chemistry WebBook:156-54-7 "CAS Registry Number" xref: CiteXplore:21593570 "PubMed citation" xref: CiteXplore:22160140 "PubMed citation" xref: CiteXplore:22353286 "PubMed citation" xref: ChemIDplus:156-54-7 "CAS Registry Number" xref: CiteXplore:22024383 "PubMed citation" xref: CiteXplore:22381755 "PubMed citation" xref: CiteXplore:21699495 "PubMed citation" xref: CiteXplore:21984169 "PubMed citation" xref: CiteXplore:22293191 "PubMed citation" xref: CiteXplore:22273669 "PubMed citation" is_a: CHEBI:38700 relationship: has_part CHEBI:17968 relationship: has_role CHEBI:61115 [Term] id: CHEBI:64104 name: sodium 8-bromo-3',5'-cyclic GMP def: "An organic sodium salt having 8-bromoguanosine 3',5'-cyclic phosphate as the counterion. A membrane permeable cGMP analogue that activates protein kinase G (PKG). It is 4.3-fold more potent than cGMP in activating PKG1alpha and promotes relaxation of tracheal and vascular smooth muscle tissue in vitro." [] synonym: "8-bromo cGMP sodium salt" RELATED [ChEBI:] synonym: "sodium 8-bromoguanosine 3',5'-cyclic phosphate" RELATED [ChEBI:] synonym: "8-bromoguanosine 3',5'-cyclic phosphate sodium" RELATED [ChEBI:] synonym: "sodium 8-bromoguanosine 3',5'-phosphate" EXACT IUPAC_NAME [IUPAC:] synonym: "8-bromoguanosine 3',5'-cyclic phosphate sodium salt" RELATED [ChEBI:] synonym: "C10H10BrN5NaO7P" RELATED FORMULA [ChEBI:] synonym: "[Na+].Nc1nc2n([C@@H]3O[C@@H]4COP([O-])(=O)O[C@H]4[C@H]3O)c(Br)nc2c(=O)[nH]1" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C10H11BrN5O7P.Na/c11-9-13-3-6(14-10(12)15-7(3)18)16(9)8-4(17)5-2(22-8)1-21-24(19,20)23-5;/h2,4-5,8,17H,1H2,(H,19,20)(H3,12,14,15,18);/q;+1/p-1/t2-,4-,5-,8-;/m1./s1" RELATED InChI [ChEBI:] synonym: "InChIKey=ZJRFCXHKYQVNFK-YEOHUATISA-M" RELATED InChIKey [ChEBI:] xref: Reaxys:8378760 "Reaxys Registry Number" is_a: CHEBI:38700 relationship: has_role CHEBI:64105 relationship: has_role CHEBI:51371 relationship: has_part CHEBI:64107 [Term] id: CHEBI:64220 name: monosodium glutamate def: "An organic sodium salt that is the monosodium salt of glutamic acid." [] synonym: "MSG" RELATED [SUBMITTER:] synonym: "sodium glutamate" RELATED [SUBMITTER:] synonym: "sodium 2-azaniumylpentanedioate" EXACT IUPAC_NAME [IUPAC:] synonym: "sodium 2-ammoniopentanedioate" RELATED [IUPAC:] synonym: "C5H8NNaO4" RELATED FORMULA [ChEBI:] synonym: "[Na+].[NH3+]C(CCC([O-])=O)C([O-])=O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C5H9NO4.Na/c6-3(5(9)10)1-2-4(7)8;/h3H,1-2,6H2,(H,7,8)(H,9,10);/q;+1/p-1" RELATED InChI [ChEBI:] synonym: "InChIKey=LPUQAYUQRXPFSQ-UHFFFAOYSA-M" RELATED InChIKey [ChEBI:] xref: CiteXplore:22293291 "PubMed citation" xref: Reaxys:17003240 "Reaxys Registry Number" is_a: CHEBI:38700 relationship: has_part CHEBI:14321 [Term] id: CHEBI:64243 name: monosodium L-glutamate def: "An optically active form of monosodium glutamate having L-configuration." [] synonym: "Monosodioglutammato" RELATED [ChemIDplus:] synonym: "Glutamate monosodium salt" RELATED [ChemIDplus:] synonym: "MSG" RELATED [ChemIDplus:] synonym: "Glutamic acid, monosodium salt" RELATED [ChemIDplus:] synonym: "Glutammato monosodico" RELATED [ChemIDplus:] synonym: "Glutamate Sodium" RELATED [ChemIDplus:] synonym: "sodium (2S)-2-azaniumylpentanedioate" EXACT IUPAC_NAME [IUPAC:] synonym: "Natrium L-hydrogenglutamat" RELATED [ChemIDplus:] synonym: "Natriumglutaminat" RELATED [ChemIDplus:] synonym: "Sodium hydrogen glutamate" RELATED [ChemIDplus:] synonym: "Monosodium glutamate" RELATED [ChemIDplus:] synonym: "sodium (2S)-2-ammoniopentanedioate" RELATED [IUPAC:] synonym: "L(+) Sodium glutamate" RELATED [ChemIDplus:] synonym: "Sodium glutamate" RELATED [ChemIDplus:] synonym: "Sodium L-glutamate" RELATED [ChemIDplus:] synonym: "C5H8NNaO4" RELATED FORMULA [ChEBI:] synonym: "[Na+].[NH3+][C@@H](CCC([O-])=O)C([O-])=O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C5H9NO4.Na/c6-3(5(9)10)1-2-4(7)8;/h3H,1-2,6H2,(H,7,8)(H,9,10);/q;+1/p-1/t3-;/m0./s1" RELATED InChI [ChEBI:] synonym: "InChIKey=LPUQAYUQRXPFSQ-DFWYDOINSA-M" RELATED InChIKey [ChEBI:] xref: CiteXplore:22293291 "PubMed citation" xref: CiteXplore:22008743 "PubMed citation" xref: CiteXplore:22104770 "PubMed citation" xref: Wikipedia:Monosodium_glutamate "Wikipedia" xref: CiteXplore:22245354 "PubMed citation" xref: ChemIDplus:142-47-2 "CAS Registry Number" xref: CiteXplore:21925279 "PubMed citation" xref: CiteXplore:22204889 "PubMed citation" xref: CiteXplore:22222358 "PubMed citation" xref: CiteXplore:22223845 "PubMed citation" xref: CiteXplore:22307498 "PubMed citation" xref: CiteXplore:22248457 "PubMed citation" xref: Reaxys:17456768 "Reaxys Registry Number" xref: CiteXplore:22154980 "PubMed citation" xref: CiteXplore:22346139 "PubMed citation" xref: CiteXplore:21054690 "PubMed citation" xref: CiteXplore:22415589 "PubMed citation" xref: CiteXplore:22286833 "PubMed citation" is_a: CHEBI:64220 relationship: has_role CHEBI:35617 relationship: has_part CHEBI:29985 relationship: is_enantiomer_of CHEBI:64244 [Term] id: CHEBI:64244 name: monosodium D-glutamate def: "An optically active form of monosodium glutamate having D-configuration." [] synonym: "sodium (2R)-2-azaniumylpentanedioate" EXACT IUPAC_NAME [IUPAC:] synonym: "C5H8NNaO4" RELATED FORMULA [ChEBI:] synonym: "[Na+].[NH3+][C@H](CCC([O-])=O)C([O-])=O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C5H9NO4.Na/c6-3(5(9)10)1-2-4(7)8;/h3H,1-2,6H2,(H,7,8)(H,9,10);/q;+1/p-1/t3-;/m1./s1" RELATED InChI [ChEBI:] synonym: "InChIKey=LPUQAYUQRXPFSQ-AENDTGMFSA-M" RELATED InChIKey [ChEBI:] xref: CiteXplore:8670713 "PubMed citation" is_a: CHEBI:64220 relationship: has_part CHEBI:29986 relationship: is_enantiomer_of CHEBI:64243 [Term] id: CHEBI:64384 name: thiosultap disodium def: "An organic sodium salt that is the disodium salt of thiosultap. An insecticide used to control various pests on rice, vegetable, and fruit trees." [] synonym: "Disodium S,S'-(2-dimethylamino-1,3-propanediyl)bis(thiosulfate)" RELATED [ChemIDplus:] synonym: "disodium S,S'-[2-(dimethylamino)propane-1,3-diyl] disulfurothioate" EXACT IUPAC_NAME [IUPAC:] synonym: "thiosultap-sodium" RELATED [ChEBI:] synonym: "Sha chong shuang" RELATED [ChemIDplus:] synonym: "C5H11NNa2O6S4" RELATED FORMULA [ChEBI:] synonym: "[Na+].[Na+].CN(C)C(CSS([O-])(=O)=O)CSS([O-])(=O)=O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C5H13NO6S4.2Na/c1-6(2)5(3-13-15(7,8)9)4-14-16(10,11)12;;/h5H,3-4H2,1-2H3,(H,7,8,9)(H,10,11,12);;/q;2*+1/p-2" RELATED InChI [ChEBI:] synonym: "InChIKey=QSOHVSNIQHGFJU-UHFFFAOYSA-L" RELATED InChIKey [ChEBI:] xref: CiteXplore:339034 "Chinese Abstracts citation" xref: Reaxys:11322124 "Reaxys Registry Number" xref: CiteXplore:20725716 "PubMed citation" xref: ChemIDplus:52207-48-4 "CAS Registry Number" is_a: CHEBI:38700 relationship: has_role CHEBI:24852 relationship: has_part CHEBI:64385 [Term] id: CHEBI:64386 name: thiosultap monosodium def: "A organic sodium salt that is the monosodium salt of thiosultap." [] synonym: "sodium S-[2-(dimethylamino)-3-(sulfosulfanyl)propyl] sulfurothioate" EXACT IUPAC_NAME [IUPAC:] synonym: "Thiosultap-monosodium" RELATED [ChemIDplus:] synonym: "monosultap" RELATED [ChEBI:] synonym: "S,S'-(2-(Dimethylamino)trimethylene)thiosulfate sodium salt" RELATED [ChemIDplus:] synonym: "C5H12NNaO6S4" RELATED FORMULA [ChEBI:] synonym: "[Na+].CN(C)C(CSS(O)(=O)=O)CSS([O-])(=O)=O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C5H13NO6S4.Na/c1-6(2)5(3-13-15(7,8)9)4-14-16(10,11)12;/h5H,3-4H2,1-2H3,(H,7,8,9)(H,10,11,12);/q;+1/p-1" RELATED InChI [ChEBI:] synonym: "InChIKey=MBNMHBAJUNHZRE-UHFFFAOYSA-M" RELATED InChIKey [ChEBI:] xref: CiteXplore:22033653 "PubMed citation" xref: Patent:WO2011066770 "Patent" xref: CiteXplore:18232403 "PubMed citation" xref: Patent:CN101268779 "Patent" xref: CiteXplore:21510218 "PubMed citation" xref: Reaxys:18567209 "Reaxys Registry Number" xref: ChemIDplus:29547-00-0 "CAS Registry Number" xref: CiteXplore:18172878 "PubMed citation" xref: Patent:CN101648898 "Patent" xref: Patent:CN101293862 "Patent" xref: Patent:CN101204155 "Patent" xref: Patent:CN101669470 "Patent" is_a: CHEBI:38700 relationship: has_role CHEBI:24852 relationship: has_part CHEBI:64387 [Term] id: CHEBI:64734 name: EDTA disodium salt (anhydrous) def: "An organic sodium salt that is the anhydrous form of the disodium salt of ethylenediaminetetraacetic acid (EDTA)." [] synonym: "(ethylenedinitrilo)tetraacetic acid disodium salt" RELATED [SUBMITTER:] synonym: "ethylenebis(iminodiacetic acid) disoidum salt" RELATED [ChEBI:] synonym: "Edetate disodium anhydrous" RELATED [KEGG DRUG:] synonym: "ethylenediaminetetraacetic acid disodium salt" RELATED [SUBMITTER:] synonym: "N,N'-1,2-ethanediylbis[N-(carboxymethyl)glycine], disodium salt" RELATED [ChEBI:] synonym: "EDTA disodium" RELATED [ChEBI:] synonym: "EDTA disodium salt (anh.)" RELATED [ChEBI:] synonym: "EDTA disodium (anh.)" RELATED [ChEBI:] synonym: "edetate disodium (anh.)" RELATED [ChEBI:] synonym: "disodium edetate (anhydrous)" RELATED [ChEBI:] synonym: "Na2H2EDTA" RELATED [ChEBI:] synonym: "edetate disodium" RELATED [ChemIDplus:] synonym: "disodium edetate (anh.)" RELATED [ChEBI:] synonym: "disodium EDTA (anh.)" RELATED [ChEBI:] synonym: "disodium EDTA" RELATED [ChemIDplus:] synonym: "disodium 2,2',2'',2'''-(ethane-1,2-diyldiammonio)tetraacetate" EXACT IUPAC_NAME [IUPAC:] synonym: "Na2-EDTA" RELATED [ChEBI:] synonym: "EDTA disodium (anhydrous)" RELATED [ChEBI:] synonym: "edetate disodium (anhydrous)" RELATED [ChEBI:] synonym: "disodium edetate" RELATED [ChemIDplus:] synonym: "disodium EDTA (anhydrous)" RELATED [ChEBI:] synonym: "C10H14N2Na2O8" RELATED FORMULA [ChEBI:] synonym: "[Na+].[Na+].[O-]C(=O)C[NH+](CC[NH+](CC([O-])=O)CC([O-])=O)CC([O-])=O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C10H16N2O8.2Na/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;;/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);;/q;2*+1/p-2" RELATED InChI [ChEBI:] synonym: "InChIKey=ZGTMUACCHSMWAC-UHFFFAOYSA-L" RELATED InChIKey [ChEBI:] xref: ChemIDplus:139-33-3 "CAS Registry Number" xref: SUBMITTER:3822669 "Beilstein Registry Number" xref: KEGG DRUG:D03945 "KEGG DRUG" xref: Reaxys:3822669 "Reaxys Registry Number" is_a: CHEBI:38700 relationship: has_part CHEBI:64755 relationship: has_role CHEBI:38161 [Term] id: CHEBI:64758 name: EDTA disodium salt dihydrate def: "A hydrate that is the dihydrate form of EDTA disodium salt." [] synonym: "EDTA disodium dihydrate" RELATED [ChemIDplus:] synonym: "Endrate" RELATED BRAND_NAME [KEGG DRUG:] synonym: "disodium edetate dihydrate" RELATED [ChemIDplus:] synonym: "disodium 2,2',2'',2'''-(ethane-1,2-diyldiammonio)tetraacetate--water (1/2)" EXACT IUPAC_NAME [IUPAC:] synonym: "edetate disodium" RELATED [ChemIDplus:] synonym: "Na2H2EDTA.2H2O" RELATED [ChEBI:] synonym: "disodium (ethylenedinitrilo)tetraacetate dihydrate" RELATED [ChemIDplus:] synonym: "ethylenediaminetetraacetic acid disodium salt dihydrate" RELATED [ChemIDplus:] synonym: "disodium EDTA dihydrate" RELATED [ChemIDplus:] synonym: "C10H18N2Na2O10" RELATED FORMULA [ChEBI:] synonym: "O.O.[Na+].[Na+].[O-]C(=O)C[NH+](CC[NH+](CC([O-])=O)CC([O-])=O)CC([O-])=O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C10H16N2O8.2Na.2H2O/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;;;;/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);;;2*1H2/q;2*+1;;/p-2" RELATED InChI [ChEBI:] synonym: "InChIKey=OVBJJZOQPCKUOR-UHFFFAOYSA-L" RELATED InChIKey [ChEBI:] xref: CiteXplore:17283668 "PubMed citation" xref: Reaxys:3900609 "Reaxys Registry Number" xref: CiteXplore:4211915 "PubMed citation" xref: ChemIDplus:6381-92-6 "CAS Registry Number" xref: KEGG DRUG:D01802 "KEGG DRUG" is_a: CHEBI:35505 relationship: has_part CHEBI:64734 relationship: has_role CHEBI:38161 relationship: has_role CHEBI:50249 [Term] id: CHEBI:67155 name: mycophenolate sodium def: "An organic sodium salt that is the sodium salt of mycophenolic acid. An immunosuppressant, it is widely used to prevent tissue rejection following organ transplants and for the treatment of certain autoimmune diseases." [] synonym: "sodium mycophenolate" RELATED [ChemIDplus:] synonym: "Myfortic" RELATED BRAND_NAME [ChemIDplus:] synonym: "mycophenolic acid monosodium salt" RELATED [ChemIDplus:] synonym: "sodium (4E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-4-methylhex-4-enoate" EXACT IUPAC_NAME [IUPAC:] synonym: "mycophenolic acid sodium salt" RELATED [ChemIDplus:] synonym: "C17H19NaO6" RELATED FORMULA [ChEBI:] synonym: "[Na+].COc1c(C)c2COC(=O)c2c(O)c1C\\C=C(/C)CCC([O-])=O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C17H20O6.Na/c1-9(5-7-13(18)19)4-6-11-15(20)14-12(8-23-17(14)21)10(2)16(11)22-3;/h4,20H,5-8H2,1-3H3,(H,18,19);/q;+1/p-1/b9-4+;" RELATED InChI [ChEBI:] synonym: "InChIKey=DOZYTHNHLLSNIK-JOKMOOFLSA-M" RELATED InChIKey [ChEBI:] xref: Reaxys:7507586 "Reaxys Registry Number" xref: KEGG DRUG:37415-62-6 "CAS Registry Number" xref: CiteXplore:22003898 "PubMed citation" xref: ChemIDplus:37415-62-6 "CAS Registry Number" xref: CiteXplore:21903891 "PubMed citation" xref: CiteXplore:22257543 "PubMed citation" xref: CiteXplore:22310598 "PubMed citation" xref: KEGG DRUG:D05095 "KEGG DRUG" xref: CiteXplore:22741942 "PubMed citation" xref: CiteXplore:22645323 "PubMed citation" xref: CiteXplore:21299636 "PubMed citation" xref: CiteXplore:22863029 "PubMed citation" xref: CiteXplore:21470310 "PubMed citation" is_a: CHEBI:38700 relationship: has_part CHEBI:62932 relationship: has_role CHEBI:53746 relationship: has_role CHEBI:35705 [Term] id: CHEBI:65640 name: clathsterol def: "An organic sodium salt which is the disodium salt of clathsterol disulfonic acid. It is obtained from the extract of a sponge Clathria sp. and acts as an inhibitor of HIV-1 reverse transcriptase (RT)." [] synonym: "disodium (2alpha,3beta,15alpha,16beta,24xi)-15-(acetyloxy)-22,23-bis(butanoyloxy)-16-hydroxystigmastane-2,3-diyl disulfate" EXACT IUPAC_NAME [IUPAC:] synonym: "C39H64Na2O15S2" RELATED FORMULA [ChEBI:] synonym: "[Na+].[Na+].[H][C@@]12CCC3C[C@H](OS([O-])(=O)=O)[C@H](C[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@@]([H])([C@H](C)C(OC(=O)CCC)C(OC(=O)CCC)C(CC)C(C)C)[C@@H](O)[C@H](OC(C)=O)[C@@]21[H])OS([O-])(=O)=O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C39H66O15S2.2Na/c1-10-13-30(41)51-35(36(25(12-3)21(4)5)52-31(42)14-11-2)22(6)32-34(43)37(50-23(7)40)33-26-16-15-24-19-28(53-55(44,45)46)29(54-56(47,48)49)20-39(24,9)27(26)17-18-38(32,33)8;;/h21-22,24-29,32-37,43H,10-20H2,1-9H3,(H,44,45,46)(H,47,48,49);;/q;2*+1/p-2/t22-,24?,25?,26+,27-,28-,29-,32-,33+,34+,35?,36?,37+,38+,39-;;/m0../s1" RELATED InChI [ChEBI:] synonym: "InChIKey=HACDCFFQGRQGEQ-FYVHBMJCSA-L" RELATED InChIKey [ChEBI:] xref: Reaxys:8967792 "Reaxys Registry Number" xref: CiteXplore:11720531 "PubMed citation" relationship: has_role CHEBI:26619 is_a: CHEBI:38700 relationship: has_role CHEBI:53756 relationship: has_part CHEBI:68597 [Term] id: CHEBI:65888 name: eurysterol A def: "An organic sodium salt that is a monosodium salt of eurysterol A sulfonic acid. Isolated from an undescribed marine sponge of the genus Euryspongia collected in Palau, it is cytotoxic and exhibits antifungal activity against both amphotericin B-resistant and wild-type strains of Candida albicans." [] synonym: "sodium (3beta,5alpha,6beta)-5,6-dihydroxy-8,19-epoxycholestan-3-yl sulfate" EXACT IUPAC_NAME [IUPAC:] synonym: "sodium 5alpha-cholestan-8,19-epoxy-3beta,5,6beta-triol-3-sulphate" RELATED [ChEBI:] synonym: "C27H45NaO7S" RELATED FORMULA [ChEBI:] synonym: "[Na+].[H][C@@]1(CC[C@]2([H])[C@]1(C)CC[C@]1([H])[C@@]34CC[C@@H](C[C@]3(O)[C@H](O)C[C@@]21OC4)OS([O-])(=O)=O)[C@H](C)CCCC(C)C" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C27H46O7S.Na/c1-17(2)6-5-7-18(3)20-8-9-21-24(20,4)12-11-22-25-13-10-19(34-35(30,31)32)14-27(25,29)23(28)15-26(21,22)33-16-25;/h17-23,28-29H,5-16H2,1-4H3,(H,30,31,32);/q;+1/p-1/t18-,19+,20-,21-,22-,23-,24-,25+,26-,27+;/m1./s1" RELATED InChI [ChEBI:] synonym: "InChIKey=NPTYMHRTUPEDPI-WQTFAPJPSA-M" RELATED InChIKey [ChEBI:] xref: Reaxys:11166278 "Reaxys Registry Number" xref: CiteXplore:17378608 "PubMed citation" relationship: has_role CHEBI:26619 is_a: CHEBI:38700 relationship: has_role CHEBI:35718 relationship: has_parent_hydride CHEBI:35515 relationship: has_role CHEBI:35610 relationship: has_part CHEBI:68592 [Term] id: CHEBI:65889 name: eurysterol B def: "An organic sodium salt that is monosodium salt of eurysterol B sulfonic acid. Isolated from an undescribed marine sponge of the genus Euryspongia collected in Palau, it is cytotoxic and exhibits antifungal activity against both amphotericin B-resistant and wild-type strains of Candida albicans." [] synonym: "sodium(3beta,5alpha,6beta,22E)-5,6-dihydroxy-8,19-epoxycholest-22-en-3-yl sulfate" EXACT IUPAC_NAME [IUPAC:] synonym: "sodium (22E)-5alpha-cholest-22-en-8,19-epoxy-3beta,5,6beta-triol-3-sulphate" RELATED [ChEBI:] synonym: "C27H43NaO7S" RELATED FORMULA [ChEBI:] synonym: "[Na+].[H][C@@]1(CC[C@]2([H])[C@]1(C)CC[C@]1([H])[C@@]34CC[C@@H](C[C@]3(O)[C@H](O)C[C@@]21OC4)OS([O-])(=O)=O)[C@H](C)\\C=C\\CC(C)C" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C27H44O7S.Na/c1-17(2)6-5-7-18(3)20-8-9-21-24(20,4)12-11-22-25-13-10-19(34-35(30,31)32)14-27(25,29)23(28)15-26(21,22)33-16-25;/h5,7,17-23,28-29H,6,8-16H2,1-4H3,(H,30,31,32);/q;+1/p-1/b7-5+;/t18-,19+,20-,21-,22-,23-,24-,25+,26-,27+;/m1./s1" RELATED InChI [ChEBI:] synonym: "InChIKey=OZULCLLLPIEFBL-FUPZROSBSA-M" RELATED InChIKey [ChEBI:] xref: Reaxys:11166279 "Reaxys Registry Number" xref: CiteXplore:17378608 "PubMed citation" relationship: has_role CHEBI:26619 is_a: CHEBI:38700 relationship: has_role CHEBI:35610 relationship: has_role CHEBI:35718 relationship: has_parent_hydride CHEBI:35515 relationship: has_part CHEBI:68593 [Term] id: CHEBI:5781 name: cortisol sodium phosphate def: "An organic sodium salt which is the disodium salt of cortisol phosphate." [] synonym: "Hydrocortisone disodium phosphate" RELATED [ChemIDplus:] synonym: "Hydrocortisone Sodium Phosphate" RELATED [KEGG DRUG:] synonym: "Sodium hydrocortisone 21-phosphate" RELATED [ChemIDplus:] synonym: "disodium 11beta,17-dihydroxy-3,20-dioxopregn-4-en-21-yl phosphate" EXACT IUPAC_NAME [IUPAC:] synonym: "Cortisol 21-phosphate" RELATED [ChemIDplus:] synonym: "Hydrocortisone 21-sodium phosphate" RELATED [ChemIDplus:] synonym: "Cortisol 21-(disodium phosphate)" RELATED [ChemIDplus:] synonym: "Hydrocortone Phosphate" RELATED [ChemIDplus:] synonym: "C21H29O8P.2Na" RELATED FORMULA [KEGG DRUG:] synonym: "[Na+].[Na+].[H][C@@]12CCC3=CC(=O)CC[C@]3(C)[C@@]1([H])[C@@H](O)C[C@@]1(C)[C@@]2([H])CC[C@]1(O)C(=O)COP([O-])([O-])=O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C21H31O8P.2Na/c1-19-7-5-13(22)9-12(19)3-4-14-15-6-8-21(25,17(24)11-29-30(26,27)28)20(15,2)10-16(23)18(14)19;;/h9,14-16,18,23,25H,3-8,10-11H2,1-2H3,(H2,26,27,28);;/q;2*+1/p-2/t14-,15-,16-,18+,19-,20-,21-;;/m0../s1" RELATED InChI [ChEBI:] synonym: "InChIKey=RYJIRNNXCHOUTQ-OJJGEMKLSA-L" RELATED InChIKey [ChEBI:] xref: DrugBank:DB00741 "DrugBank" xref: KEGG DRUG:D00977 "KEGG DRUG" xref: KEGG DRUG:6000-74-4 "CAS Registry Number" relationship: has_part CHEBI:68633 is_a: CHEBI:38700 [Term] id: CHEBI:4462 name: dexamethasone sodium phosphate def: "An organic sodium salt which is the disodium salt of dexamethasone phosphate." [] synonym: "Dexamethasone 21-(disodium phosphate)" RELATED [ChemIDplus:] synonym: "Dalalone" RELATED [KEGG DRUG:] synonym: "Dexamethasone sodium phosphate" EXACT [KEGG DRUG:] synonym: "disodium 9-fluoro-11beta,17-dihydroxy-16alpha-methyl-3,20-dioxopregna-1,4-dien-21-yl phosphate" EXACT IUPAC_NAME [IUPAC:] synonym: "Sodium dexamethasone phosphate" RELATED [ChemIDplus:] synonym: "C22H28FNa2O8P" RELATED FORMULA [ChEBI:] synonym: "C22H28FO8P.2Na" RELATED FORMULA [KEGG DRUG:] synonym: "[Na+].[Na+].[H][C@@]12C[C@@H](C)[C@](O)(C(=O)COP([O-])([O-])=O)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C22H30FO8P.2Na/c1-12-8-16-15-5-4-13-9-14(24)6-7-19(13,2)21(15,23)17(25)10-20(16,3)22(12,27)18(26)11-31-32(28,29)30;;/h6-7,9,12,15-17,25,27H,4-5,8,10-11H2,1-3H3,(H2,28,29,30);;/q;2*+1/p-2/t12-,15+,16+,17+,19+,20+,21+,22+;;/m1../s1" RELATED InChI [ChEBI:] synonym: "InChIKey=PLCQGRYPOISRTQ-FCJDYXGNSA-L" RELATED InChIKey [ChEBI:] xref: KEGG DRUG:D00975 "KEGG DRUG" xref: KEGG DRUG:2392-39-4 "CAS Registry Number" xref: ChemIDplus:2392-39-4 "CAS Registry Number" relationship: has_part CHEBI:68638 is_a: CHEBI:38700 relationship: has_role CHEBI:63562 [Term] id: CHEBI:68635 name: trisodium guanosine 5'-[beta,gamma-methylene]triphosphate def: "An organic sodium salt that is the trisodium salt of guanosine 5'-(beta,gamma-methylene)triphosphate." [] synonym: "beta,gamma-methyleneguanosine 5'-triphosphate sodium salt" RELATED [SUBMITTER:] synonym: "GppCp" RELATED [ChEBI:] synonym: "GppCp.Na3" RELATED [ChEBI:] synonym: "trisodium hydrogen 5'-O-({[(phosphonatomethyl)phosphinato]oxy}phosphinato)guanosine" EXACT IUPAC_NAME [IUPAC:] synonym: "trisodium 5'-guanylylmethylenebisphosphonate" RELATED [ChEBI:] synonym: "C11H15N5Na3O13P3" RELATED FORMULA [ChEBI:] synonym: "[H+].[Na+].[Na+].[Na+].Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](COP([O-])(=O)OP([O-])(=O)CP([O-])([O-])=O)[C@@H](O)[C@H]1O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C11H18N5O13P3.3Na/c12-11-14-8-5(9(19)15-11)13-2-16(8)10-7(18)6(17)4(28-10)1-27-32(25,26)29-31(23,24)3-30(20,21)22;;;/h2,4,6-7,10,17-18H,1,3H2,(H,23,24)(H,25,26)(H2,20,21,22)(H3,12,14,15,19);;;/q;3*+1/p-3/t4-,6-,7-,10-;;;/m1.../s1" RELATED InChI [ChEBI:] synonym: "InChIKey=PZFBXLDUBWIHCT-MSQVLRTGSA-K" RELATED InChIKey [ChEBI:] xref: Reaxys:10323291 "Reaxys Registry Number" xref: SUBMITTER:10470-57-2 "CAS Registry Number" is_a: CHEBI:38700 relationship: has_part CHEBI:70836 [Term] id: CHEBI:65464 name: balsaminolate def: "An organic sodium salt which is the monosodium salt of 2-hydroxy-3-(2-hydroxyethyl)naphthalene-1,4-dione. It is isolated from the aerial parts of Impatiens balsamina and acts as a selective inhibitor of cyclooxygenase 2 (COX-2) enzyme." [] synonym: "sodium 3-(2-hydroxyethyl)-1,4-dioxo-1,4-dihydronaphthalen-2-olate" EXACT IUPAC_NAME [IUPAC:] synonym: "sodium 2-hydroxide-3-(2-hydroxyethyl)napthalene-1,4-dione" RELATED [ChEBI:] synonym: "C12H9NaO4" RELATED FORMULA [ChEBI:] synonym: "[Na+].OCCC1=C([O-])C(=O)c2ccccc2C1=O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C12H10O4.Na/c13-6-5-9-10(14)7-3-1-2-4-8(7)11(15)12(9)16;/h1-4,13,16H,5-6H2;/q;+1/p-1" RELATED InChI [ChEBI:] synonym: "InChIKey=NNKGFBSOJQBFRK-UHFFFAOYSA-M" RELATED InChIKey [ChEBI:] xref: Reaxys:9597370 "Reaxys Registry Number" xref: CiteXplore:12033510 "PubMed citation" relationship: has_role CHEBI:26619 is_a: CHEBI:38700 relationship: has_part CHEBI:71183 relationship: has_role CHEBI:50629 [Term] id: CHEBI:65567 name: callysponginol sulfate A def: "An organic sodium salt which is the monosodium salt of callysponginol sulfonic acid A. It is isolated from the marine sponge Callyspongia truncata as a membrane type 1 matrix metalloproteinase (MT1-MMP) inhibitor." [] synonym: "sodium (1R,16Z)-1-carboxytricos-16-en-2-yn-1-yl sulfate" EXACT IUPAC_NAME [IUPAC:] synonym: "C24H41NaO6S" RELATED FORMULA [ChEBI:] synonym: "[Na+].CCCCCC\\C=C/CCCCCCCCCCCCC#C[C@@H](OS([O-])(=O)=O)C(O)=O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C24H42O6S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(24(25)26)30-31(27,28)29;/h7-8,23H,2-6,9-20H2,1H3,(H,25,26)(H,27,28,29);/q;+1/p-1/b8-7-;/t23-;/m1./s1" RELATED InChI [ChEBI:] synonym: "InChIKey=PBGNCXUOHDYVFH-GJUDBQLJSA-M" RELATED InChIKey [ChEBI:] xref: CiteXplore:12713420 "PubMed citation" relationship: has_role CHEBI:26619 is_a: CHEBI:38700 relationship: has_part CHEBI:71326 relationship: has_role CHEBI:50664 [Term] id: CHEBI:9619 name: tolmetin sodium def: "An organic sodium salt that is the monosodium salt of tolmetin. Used in the form of its dihydrate as a nonselective nonsteroidal anti-inflammatory drug." [] synonym: "sodium [1-methyl-5-(4-methylbenzoyl)-1H-pyrrol-2-yl]acetate" EXACT IUPAC_NAME [IUPAC:] synonym: "Sodium 1-methyl-5-(4-methylbenzoyl)-1H-pyrrole-2-acetate" RELATED [ChemIDplus:] synonym: "Tolmetin sodium anhydrous" RELATED [ChemIDplus:] synonym: "C15H14NNaO3" RELATED FORMULA [ChEBI:] synonym: "[Na+].Cc1ccc(cc1)C(=O)c1ccc(CC([O-])=O)n1C" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C15H15NO3.Na/c1-10-3-5-11(6-4-10)15(19)13-8-7-12(16(13)2)9-14(17)18;/h3-8H,9H2,1-2H3,(H,17,18);/q;+1/p-1" RELATED InChI [ChEBI:] synonym: "InChIKey=QGUALMNFRILWRA-UHFFFAOYSA-M" RELATED InChIKey [ChEBI:] xref: KEGG COMPOUND:C02328 "KEGG COMPOUND" xref: CiteXplore:20582193 "PubMed citation" xref: CiteXplore:7428434 "PubMed citation" xref: CiteXplore:535831 "PubMed citation" xref: CiteXplore:300118 "PubMed citation" xref: ChemIDplus:35711-34-3 "CAS Registry Number" xref: CiteXplore:405018 "PubMed citation" xref: CiteXplore:61224 "PubMed citation" xref: CiteXplore:7248666 "PubMed citation" xref: Patent:US4349563 "Patent" xref: CiteXplore:7002482 "PubMed citation" xref: CiteXplore:6344227 "PubMed citation" xref: Patent:WO2004005309 "Patent" xref: CiteXplore:16414675 "PubMed citation" xref: CiteXplore:7396618 "PubMed citation" xref: CiteXplore:6976279 "PubMed citation" xref: CiteXplore:3397980 "PubMed citation" xref: CiteXplore:2094421 "PubMed citation" xref: Wikipedia:Tolmetin_sodium "Wikipedia" xref: KEGG COMPOUND:64490-92-2 "CAS Registry Number" xref: Reaxys:4626313 "Reaxys Registry Number" xref: CiteXplore:19505209 "PubMed citation" xref: Patent:WO2009072139 "Patent" xref: CiteXplore:7359312 "PubMed citation" xref: CiteXplore:8277771 "PubMed citation" xref: DrugBank:DB00500 "DrugBank" xref: CiteXplore:6350376 "PubMed citation" xref: CiteXplore:470891 "PubMed citation" xref: CiteXplore:7038657 "PubMed citation" is_a: CHEBI:38700 relationship: has_role CHEBI:35544 relationship: has_role CHEBI:35475 relationship: has_part CHEBI:72213 [Term] id: CHEBI:72014 name: tolmetin sodium dihydrate def: "An organic sodium salt that is the dihydrate form of tolmetin sodium. Used as a nonselective nonsteroidal anti-inflammatory drug." [] synonym: "Tolumetin sodium dihydrate" RELATED [ChemIDplus:] synonym: "Sodium tolmetin dihydrate" RELATED [ChemIDplus:] synonym: "Tolmetin sodium" RELATED [KEGG DRUG:] synonym: "sodium [1-methyl-5-(4-methylbenzoyl)-1H-pyrrol-2-yl]acetate--water (1/2)" EXACT IUPAC_NAME [IUPAC:] synonym: "Tolmetin sodium dihydrate" EXACT [KEGG DRUG:] synonym: "Tolectin" RELATED INN [KEGG DRUG:] synonym: "Sodium 1-methyl-5-p-toluoylpyrrole-2-acetate dihydrate" RELATED [ChemIDplus:] synonym: "C15H18NNaO5" RELATED FORMULA [ChEBI:] synonym: "O.O.[Na+].Cc1ccc(cc1)C(=O)c1ccc(CC([O-])=O)n1C" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C15H15NO3.Na.2H2O/c1-10-3-5-11(6-4-10)15(19)13-8-7-12(16(13)2)9-14(17)18;;;/h3-8H,9H2,1-2H3,(H,17,18);;2*1H2/q;+1;;/p-1" RELATED InChI [ChEBI:] synonym: "InChIKey=QQILXENAYPUNEA-UHFFFAOYSA-M" RELATED InChIKey [ChEBI:] xref: CiteXplore:20582193 "PubMed citation" xref: CiteXplore:3881125 "PubMed citation" xref: CiteXplore:300118 "PubMed citation" xref: CiteXplore:14999740 "PubMed citation" xref: CiteXplore:7428434 "PubMed citation" xref: CiteXplore:535831 "PubMed citation" xref: CiteXplore:405018 "PubMed citation" xref: CiteXplore:61224 "PubMed citation" xref: Reaxys:13339052 "Reaxys Registry Number" xref: Patent:US4255335 "Patent" xref: CiteXplore:7248666 "PubMed citation" xref: CiteXplore:7002482 "PubMed citation" xref: KEGG DRUG:64490-92-2 "CAS Registry Number" xref: Wikipedia:Tolmetin_sodium "Wikipedia" xref: CiteXplore:16414675 "PubMed citation" xref: CiteXplore:2836323 "PubMed citation" xref: CiteXplore:2094421 "PubMed citation" xref: CiteXplore:6686452 "PubMed citation" xref: KEGG DRUG:D00158 "KEGG DRUG" xref: CiteXplore:21601625 "PubMed citation" xref: CiteXplore:621259 "PubMed citation" xref: CiteXplore:19505209 "PubMed citation" xref: CiteXplore:7359312 "PubMed citation" xref: CiteXplore:8277771 "PubMed citation" xref: DrugBank:DB00500 "DrugBank" xref: ChemIDplus:64490-92-2 "CAS Registry Number" xref: CiteXplore:1370766 "PubMed citation" xref: CiteXplore:16414623 "PubMed citation" xref: CiteXplore:6350376 "PubMed citation" xref: CiteXplore:470891 "PubMed citation" is_a: CHEBI:38700 relationship: has_part CHEBI:9619 is_a: CHEBI:35505 relationship: has_role CHEBI:35544 relationship: has_role CHEBI:35475 [Term] id: CHEBI:65969 name: sodium globostellatate A def: "An organic sodium salt that is the monosodium of globostellatic acid A. Isolated from the marine sponge Stelletta globostellata, it exhibits cytotoxicity against P-388 murine leukemia cells." [] synonym: "sodium (3Z,3aS,5aR,6R,7R,9aR,9bS)-7-(acetyloxy)-3-[(4E,6E,8E)-10-hydroxy-6,10-dimethyl-3-oxoundeca-4,6,8-trien-2-ylidene]-3a,6,9a-trimethyl-2-oxododecahydro-1H-cyclopenta[a]naphthalene-6-carboxylate" EXACT IUPAC_NAME [IUPAC:] synonym: "C32H43NaO7" RELATED FORMULA [ChEBI:] synonym: "[Na+].[H][C@@]12CC[C@@]3(C)[C@@]([H])(CC(=O)\\C3=C(\\C)C(=O)\\C=C\\C(C)=C\\C=C\\C(C)(C)O)[C@@]1(C)CC[C@@H](OC(C)=O)[C@]2(C)C([O-])=O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C32H44O7.Na/c1-19(10-9-15-29(4,5)38)11-12-22(34)20(2)27-23(35)18-25-30(6)17-14-26(39-21(3)33)32(8,28(36)37)24(30)13-16-31(25,27)7;/h9-12,15,24-26,38H,13-14,16-18H2,1-8H3,(H,36,37);/q;+1/p-1/b12-11+,15-9+,19-10+,27-20+;/t24-,25+,26-,30+,31+,32-;/m1./s1" RELATED InChI [ChEBI:] synonym: "InChIKey=PIQXLCRSDXWNHI-DKNHMXAFSA-M" RELATED InChIKey [ChEBI:] xref: CiteXplore:8778241 "PubMed citation" relationship: has_role CHEBI:26619 is_a: CHEBI:38700 relationship: has_part CHEBI:72300 relationship: has_role CHEBI:35610 [Term] id: CHEBI:65970 name: sodium globostellatate B def: "An organic sodium salt that is the monosodium salt of globostellatic acid B. Isolated from the marine sponge Stelletta globostellata, it exhibits cytotoxicity against P-388 murine leukemia cells." [] synonym: "sodium (3Z,3aS,5aR,6R,7R,9aR,9bS)-7-(acetyloxy)-3-[(3E,5E,8E)-10-hydroxy-7-methoxy-6,10-dimethylundeca-3,5,8-trien-2-ylidene]-3a,6,9a-trimethyl-2-oxododecahydro-1H-cyclopenta[a]naphthalene-6-carboxylate" EXACT IUPAC_NAME [IUPAC:] synonym: "C33H47NaO7" RELATED FORMULA [ChEBI:] synonym: "[Na+].[H][C@@]12CC[C@@]3(C)[C@@]([H])(CC(=O)\\C3=C(C)/C=C/C=C(\\C)C(OC)\\C=C\\C(C)(C)O)[C@@]1(C)CC[C@@H](OC(C)=O)[C@]2(C)C([O-])=O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C33H48O7.Na/c1-20(24(39-9)13-16-30(4,5)38)11-10-12-21(2)28-23(35)19-26-31(6)18-15-27(40-22(3)34)33(8,29(36)37)25(31)14-17-32(26,28)7;/h10-13,16,24-27,38H,14-15,17-19H2,1-9H3,(H,36,37);/q;+1/p-1/b12-10+,16-13+,20-11+,28-21+;/t24?,25-,26+,27-,31+,32+,33-;/m1./s1" RELATED InChI [ChEBI:] synonym: "InChIKey=BHUMXQLANUZBGM-CKDMDEKCSA-M" RELATED InChIKey [ChEBI:] xref: CiteXplore:8778241 "PubMed citation" relationship: has_role CHEBI:26619 relationship: has_part CHEBI:72303 is_a: CHEBI:38700 relationship: has_role CHEBI:35610 [Term] id: CHEBI:65971 name: sodium globostellatate C def: "An organic sodium salt that is the monosodium salt of globostellatic acid C. Isolated from the marine sponge Stelletta globostellata, it exhibits cytotoxicity against P-388 murine leukemia cells." [] synonym: "sodium (3Z,3aS,5aR,6R,7R,9aR,9bS)-7-(acetyloxy)-3-[(3E,5E,7E)-10-hydroxy-9-methoxy-6,10-dimethylundeca-3,5,7-trien-2-ylidene]-3a,6,9a-trimethyl-2-oxododecahydro-1H-cyclopenta[a]naphthalene-6-carboxylate" EXACT IUPAC_NAME [IUPAC:] synonym: "C33H47NaO7" RELATED FORMULA [ChEBI:] synonym: "[Na+].[H][C@@]12CC[C@@]3(C)[C@@]([H])(CC(=O)\\C3=C(C)/C=C/C=C(C)/C=C/C(OC)C(C)(C)O)[C@@]1(C)CC[C@@H](OC(C)=O)[C@]2(C)C([O-])=O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C33H48O7.Na/c1-20(13-14-26(39-9)30(4,5)38)11-10-12-21(2)28-23(35)19-25-31(6)18-16-27(40-22(3)34)33(8,29(36)37)24(31)15-17-32(25,28)7;/h10-14,24-27,38H,15-19H2,1-9H3,(H,36,37);/q;+1/p-1/b12-10+,14-13+,20-11+,28-21+;/t24-,25+,26?,27-,31+,32+,33-;/m1./s1" RELATED InChI [ChEBI:] synonym: "InChIKey=GMHCRJAKMQQTJB-RLOWDUIGSA-M" RELATED InChIKey [ChEBI:] xref: Chemspider:10476143 "Chemspider" xref: CiteXplore:8778241 "PubMed citation" relationship: has_role CHEBI:26619 is_a: CHEBI:38700 relationship: has_part CHEBI:72306 relationship: has_role CHEBI:35610 [Term] id: CHEBI:65972 name: sodium globostellatate D def: "An organic sodium salt that is the monosodium salt of globostellatic acid D. Isolated from the marine sponge Stelletta globostellata, it exhibits cytotoxicity against P-388 murine leukemia cells." [] synonym: "sodium (3Z,3aS,5aR,6R,7R,9aR,9bS)-7-hydroxy-3-[(3E,5E,7E)-10-hydroxy-9-methoxy-6,10-dimethylundeca-3,5,7-trien-2-ylidene]-3a,6,9a-trimethyl-2-oxododecahydro-1H-cyclopenta[a]naphthalene-6-carboxylate" EXACT IUPAC_NAME [IUPAC:] synonym: "C31H45NaO6" RELATED FORMULA [ChEBI:] synonym: "[Na+].[H][C@@]12CC[C@@]3(C)[C@@]([H])(CC(=O)\\C3=C(C)/C=C/C=C(C)/C=C/C(OC)C(C)(C)O)[C@@]1(C)CC[C@@H](O)[C@]2(C)C([O-])=O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C31H46O6.Na/c1-19(12-13-25(37-8)28(3,4)36)10-9-11-20(2)26-21(32)18-23-29(5)17-15-24(33)31(7,27(34)35)22(29)14-16-30(23,26)6;/h9-13,22-25,33,36H,14-18H2,1-8H3,(H,34,35);/q;+1/p-1/b11-9+,13-12+,19-10+,26-20+;/t22-,23+,24-,25?,29+,30+,31-;/m1./s1" RELATED InChI [ChEBI:] synonym: "InChIKey=CERBHPPRQFHGMC-PULODHPASA-M" RELATED InChIKey [ChEBI:] xref: Chemspider:10476144 "Chemspider" xref: CiteXplore:8778241 "PubMed citation" relationship: has_role CHEBI:26619 is_a: CHEBI:38700 relationship: has_role CHEBI:35610 relationship: has_part CHEBI:72309 [Term] id: CHEBI:65996 name: halistanol sulfate F def: "An organic sodium salt that is the trisodium salt of halistanol sulfonic acid F. Isolated from the marine sponge Pseudaxinyssa digitata, it exhibits anti-HIV activity." [] synonym: "C30H51Na3O12S3" RELATED FORMULA [ChEBI:] synonym: "[Na+].[Na+].[Na+].[H][C@@]1(CC[C@@]2([H])[C@]3([H])C[C@H](OS([O-])(=O)=O)[C@@]4([H])C[C@H](OS([O-])(=O)=O)[C@H](C[C@]4(C)[C@@]3([H])CC[C@]12C)OS([O-])(=O)=O)[C@H](C)CCC(C)C(C)(C)CC" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C30H54O12S3.3Na/c1-8-28(4,5)19(3)10-9-18(2)21-11-12-22-20-15-25(40-43(31,32)33)24-16-26(41-44(34,35)36)27(42-45(37,38)39)17-30(24,7)23(20)13-14-29(21,22)6;;;/h18-27H,8-17H2,1-7H3,(H,31,32,33)(H,34,35,36)(H,37,38,39);;;/q;3*+1/p-3/t18-,19?,20+,21-,22+,23+,24-,25+,26+,27+,29-,30-;;;/m1.../s1" RELATED InChI [ChEBI:] synonym: "InChIKey=YMPFBLQGUNEWQH-FLZIPAQVSA-K" RELATED InChIKey [ChEBI:] xref: CiteXplore:8158159 "PubMed citation" xref: Reaxys:12013883 "Reaxys Registry Number" relationship: has_role CHEBI:26619 is_a: CHEBI:38700 relationship: has_role CHEBI:64949 relationship: has_role CHEBI:64947 relationship: has_part CHEBI:72476 [Term] id: CHEBI:65997 name: halistanol sulfate G def: "An organic sodium salt that is the trisodium salt of halistanol sulfonic acid G. Isolated from the marine sponge Pseudaxinyssa digitata, it exhibits anti-HIV activity." [] synonym: "trisodium (2beta,3alpha,5alpha,6alpha)-ergostane-2,3,6-triyl trisulfate" EXACT IUPAC_NAME [IUPAC:] synonym: "C28H47Na3O12S3" RELATED FORMULA [ChEBI:] synonym: "[Na+].[Na+].[Na+].[H][C@@]1(CC[C@@]2([H])[C@]3([H])C[C@H](OS([O-])(=O)=O)[C@@]4([H])C[C@H](OS([O-])(=O)=O)[C@H](C[C@]4(C)[C@@]3([H])CC[C@]12C)OS([O-])(=O)=O)[C@H](C)CC[C@H](C)C(C)C" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C28H50O12S3.3Na/c1-16(2)17(3)7-8-18(4)20-9-10-21-19-13-24(38-41(29,30)31)23-14-25(39-42(32,33)34)26(40-43(35,36)37)15-28(23,6)22(19)11-12-27(20,21)5;;;/h16-26H,7-15H2,1-6H3,(H,29,30,31)(H,32,33,34)(H,35,36,37);;;/q;3*+1/p-3/t17-,18+,19-,20+,21-,22-,23+,24-,25-,26-,27+,28+;;;/m0.../s1" RELATED InChI [ChEBI:] synonym: "InChIKey=LGOWVXRSYXXXNZ-GTQHFPFQSA-K" RELATED InChIKey [ChEBI:] xref: Reaxys:12013879 "Reaxys Registry Number" xref: CiteXplore:8158159 "PubMed citation" relationship: has_role CHEBI:26619 is_a: CHEBI:38700 relationship: has_part CHEBI:72478 relationship: has_role CHEBI:64947 relationship: has_role CHEBI:64949 [Term] id: CHEBI:66069 name: impatienolate def: "An organic sodium salt that is the disodium salt of impatienol. Isolated from the corolla of Impatiens balsamina, it exhibits inhibitory activity against COX-2." [] synonym: "2,2'-ethylidene bis(3-sodium hydroxide-1,4-nphthoquinone)" RELATED [ChEBI:] synonym: "sodium 3-hydroxide-2([sodium 3-hydroxide-1,4-dioxo(2-naphthyl)]ethyl)naphthalene-1,4-dione" RELATED [ChEBI:] synonym: "disodium 3,3'-ethane-1,1-diylbis(1,4-dioxo-1,4-dihydronaphthalen-2-olate)" EXACT IUPAC_NAME [IUPAC:] synonym: "C22H12Na2O6" RELATED FORMULA [ChEBI:] synonym: "[Na+].[Na+].CC(C1=C([O-])C(=O)c2ccccc2C1=O)C1=C([O-])C(=O)c2ccccc2C1=O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C22H14O6.2Na/c1-10(15-17(23)11-6-2-4-8-13(11)19(25)21(15)27)16-18(24)12-7-3-5-9-14(12)20(26)22(16)28;;/h2-10,27-28H,1H3;;/q;2*+1/p-2" RELATED InChI [ChEBI:] synonym: "InChIKey=GTBSWVDKMJUHGW-UHFFFAOYSA-L" RELATED InChIKey [ChEBI:] xref: CiteXplore:12033510 "PubMed citation" xref: Reaxys:9603432 "Reaxys Registry Number" relationship: has_role CHEBI:26619 relationship: has_part CHEBI:72635 is_a: CHEBI:38700 relationship: has_role CHEBI:50629 [Term] id: CHEBI:66548 name: lamellarin alpha 20-sulfate def: "An organic sodium salt of lamellarin alpha 20-hydrogen sulfate. It is isolated from an unidentified ascidian (IIC-197) and exhibits inhibitory activity against HIV-1 integrase." [] synonym: "sodium 14-(3-hydroxy-4-methoxyphenyl)-2,11,12-trimethoxy-6-oxo-6H-chromeno[4',3':4,5]pyrrolo[2,1-a]isoquinolin-3-yl sulfate" EXACT IUPAC_NAME [IUPAC:] synonym: "C29H22NNaO11S" RELATED FORMULA [ChEBI:] synonym: "[Na+].COc1ccc(cc1O)-c1c2c3cc(OC)c(OS([O-])(=O)=O)cc3oc(=O)c2n2ccc3cc(OC)c(OC)cc3c12" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C29H23NO11S.Na/c1-36-19-6-5-15(9-18(19)31)25-26-17-12-23(39-4)24(41-42(33,34)35)13-20(17)40-29(32)28(26)30-8-7-14-10-21(37-2)22(38-3)11-16(14)27(25)30;/h5-13,31H,1-4H3,(H,33,34,35);/q;+1/p-1" RELATED InChI [ChEBI:] synonym: "InChIKey=XFFQTURHMBFHKK-UHFFFAOYSA-M" RELATED InChIKey [ChEBI:] xref: CiteXplore:10354398 "PubMed citation" xref: CiteXplore:22071527 "PubMed citation" xref: CiteXplore:12150874 "PubMed citation" xref: Reaxys:8382319 "Reaxys Registry Number" relationship: has_role CHEBI:26619 is_a: CHEBI:38700 relationship: has_role CHEBI:67268 relationship: has_part CHEBI:72791 [Term] id: CHEBI:73280 name: sodium 2-amino-5-[(1-methoxy-2-methylindolizin-3-yl)carbonyl]benzoate def: "An organic sodium salt having 2-amino-5-[(1-methoxy-2-methylindolizin-3-yl)carbonyl]benzoate as the counterion." [] synonym: "sodium 2-amino-5-[(1-methoxy-2-methylindolizin-3-yl)carbonyl]benzoate" EXACT IUPAC_NAME [IUPAC:] synonym: "SSR128129E" RELATED [ChEBI:] synonym: "SSR" RELATED [ChEBI:] synonym: "C18H15N2NaO4" RELATED FORMULA [ChEBI:] synonym: "[Na+].COc1c(C)c(C(=O)c2ccc(N)c(c2)C([O-])=O)n2ccccc12" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C18H16N2O4.Na/c1-10-15(20-8-4-3-5-14(20)17(10)24-2)16(21)11-6-7-13(19)12(9-11)18(22)23;/h3-9H,19H2,1-2H3,(H,22,23);/q;+1/p-1" RELATED InChI [ChEBI:] synonym: "InChIKey=JFBMSTWZURKQOC-UHFFFAOYSA-M" RELATED InChIKey [ChEBI:] xref: Reaxys:11430504 "Reaxys Registry Number" xref: SUBMITTER:23597562 "PubMed citation" xref: CiteXplore:23597563 "PubMed citation" is_a: CHEBI:38700 relationship: has_role CHEBI:35610 relationship: has_part CHEBI:73308 [Term] id: CHEBI:38702 name: inorganic sodium salt synonym: "inorganic sodium salts" RELATED [ChEBI:] is_a: CHEBI:24839 is_a: CHEBI:26714 [Term] id: CHEBI:26709 name: sodium hydrogensulfite def: "A sulfite salt that has formula HNaO3S." [] synonym: "sodium bisulphite" RELATED [ChemIDplus:] synonym: "sodium bisulfite" RELATED [ChemIDplus:] synonym: "sodium hydrogen sulfite" RELATED [ChemIDplus:] synonym: "sodium hydrogensulfite" EXACT IUPAC_NAME [IUPAC:] synonym: "Natriumbisulfit" RELATED [ChEBI:] synonym: "Natriumhydrogensulfit" RELATED [ChEBI:] synonym: "NaHSO3" RELATED [IUPAC:] synonym: "saures Natriumsulfit" RELATED [ChEBI:] synonym: "primaeres Natriumsulfit" RELATED [ChEBI:] synonym: "HNaO3S" RELATED FORMULA [ChEBI:] synonym: "[Na+].OS([O-])=O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/Na.H2O3S/c;1-4(2)3/h;(H2,1,2,3)/q+1;/p-1" RELATED InChI [ChEBI:] synonym: "InChIKey=DWAQJAXMDSEUJJ-UHFFFAOYSA-M" RELATED InChIKey [ChEBI:] xref: ChemIDplus:7631-90-5 "CAS Registry Number" xref: Gmelin:22395 "Gmelin Registry Number" relationship: has_role CHEBI:25435 relationship: has_part CHEBI:17137 is_a: CHEBI:38702 is_a: CHEBI:48857 [Term] id: CHEBI:30141 name: sodium tetrahydroaluminate def: "An inorganic sodium salt that has formula AlH4Na." [] synonym: "sodium aluminum hydride" RELATED [ChemIDplus:] synonym: "sodium tetrahydroaluminate(1-)" RELATED [ChemIDplus:] synonym: "sodium aluminum tetrahydride" RELATED [ChemIDplus:] synonym: "sodium tetrahydroaluminate" EXACT [ChemIDplus:] synonym: "sodium tetrahydridoaluminate" EXACT IUPAC_NAME [IUPAC:] synonym: "aluminum sodium hydride" RELATED [ChemIDplus:] synonym: "Na[AlH4]" RELATED [ChEBI:] synonym: "AlH4Na" RELATED FORMULA [ChEBI:] synonym: "[Na+].[H][Al-]([H])([H])[H]" RELATED SMILES [ChEBI:] synonym: "InChI=1S/Al.Na.4H/q-1;+1;;;;" RELATED InChI [ChEBI:] synonym: "InChIKey=MNYCIYRTKITUKR-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: ChemIDplus:13770-96-2 "CAS Registry Number" xref: Gmelin:91541 "Gmelin Registry Number" is_a: CHEBI:38702 [Term] id: CHEBI:29678 name: sodium metaarsenite def: "An arsenic molecular entity that has formula As3Na3O7." [] synonym: "sodium metaarsenite" EXACT [ChemIDplus:] synonym: "Sodium arsenite" RELATED [KEGG COMPOUND:] synonym: "(NaAsO2)n" RELATED [ChEBI:] synonym: "NaAsO2" RELATED [ChEBI:] synonym: "sodium meta-arsenite" RELATED [ChEBI:] synonym: "Sodium dioxoarsenate" RELATED [KEGG COMPOUND:] synonym: "catena-poly[(oxidoarsenate-mu-oxido)]sodium" EXACT IUPAC_NAME [IUPAC:] synonym: "Na(+)n-(-As(O(-))O-)-n" RELATED [ChEBI:] synonym: "As3Na3O7" RELATED FORMULA [ChEBI:] synonym: "AsNaO2" RELATED FORMULA [KEGG COMPOUND:] synonym: "InChI=1S/As3O7.3Na/c4-1(5)9-3(8)10-2(6)7;;;/q-5;3*+1" RELATED InChI [ChEBI:] synonym: "InChIKey=BMHFAZFKCQGNFO-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: KEGG COMPOUND:C11906 "KEGG COMPOUND" xref: KEGG COMPOUND:7784-46-5 "CAS Registry Number" xref: ChemIDplus:7784-46-5 "CAS Registry Number" is_a: CHEBI:22632 relationship: has_role CHEBI:24852 relationship: has_role CHEBI:24127 relationship: has_role CHEBI:33282 relationship: has_role CHEBI:24527 relationship: has_role CHEBI:33288 is_a: CHEBI:38702 [Term] id: CHEBI:35607 name: trisodium vanadate alt_id: CHEBI:475853 def: "An inorganic sodium salt of formula Na3VO4 containing the tetrahedral VO4(3-)" [] synonym: "sodium vanadate" RELATED [ChemIDplus:] synonym: "sodium vanadate(V)" RELATED [ChemIDplus:] synonym: "trisodium trioxido(oxo)vanadium" RELATED [ChEBI:] synonym: "trisodium orthovanadate" RELATED [ChemIDplus:] synonym: "sodium vanadium oxide" RELATED [ChemIDplus:] synonym: "Na3VO4" RELATED [IUPAC:] synonym: "vanadic acid (H3VO4), sodium salt" RELATED [ChemIDplus:] synonym: "sodium tetraoxidovanadate(V)" EXACT IUPAC_NAME [IUPAC:] synonym: "sodium tetraoxovanadate(3-)" RELATED [ChemIDplus:] synonym: "sodium tetraoxidovanadate(3-)" EXACT IUPAC_NAME [IUPAC:] synonym: "vanadic acid, trisodium salt" RELATED [ChemIDplus:] synonym: "trisodium vanadate" EXACT [ChemIDplus:] synonym: "vanadate (VO4(3-)), trisodium" RELATED [ChemIDplus:] synonym: "sodium o-vanadate" RELATED [ChemIDplus:] synonym: "sodium pervanadate" RELATED [ChemIDplus:] synonym: "trisodium tetraoxovanadate" RELATED [ChemIDplus:] synonym: "sodium vanadate (ortho)" RELATED [ChemIDplus:] synonym: "Na3O4V" RELATED FORMULA [ChEBI:] synonym: "[Na+].[Na+].[Na+].[O-][V]([O-])([O-])=O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/3Na.4O.V/q3*+1;;3*-1;" RELATED InChI [ChEBI:] synonym: "InChIKey=IHIXIJGXTJIKRB-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: Wikipedia:Sodium_orthovanadate "Wikipedia" xref: Beilstein:12153548 "Beilstein Registry Number" xref: ChemIDplus:13721-39-6 "CAS Registry Number" xref: Gmelin:2388949 "Gmelin Registry Number" xref: Gmelin:38128 "Gmelin Registry Number" xref: Gmelin:1600790 "Gmelin Registry Number" xref: Gmelin:2389118 "Gmelin Registry Number" relationship: has_part CHEBI:46442 relationship: has_role CHEBI:35608 is_a: CHEBI:38702 [Term] id: CHEBI:32149 name: sodium sulfate def: "An inorganic sodium salt that has formula O4S.2Na." [] synonym: "sodium sulphate" RELATED [NIST Chemistry WebBook:] synonym: "disodium sulphate" RELATED [NIST Chemistry WebBook:] synonym: "sodium sulfate" EXACT IUPAC_NAME [IUPAC:] synonym: "Na2SO4" RELATED [IUPAC:] synonym: "Natriumsulfat" RELATED [NIST Chemistry WebBook:] synonym: "salt cake" RELATED [NIST Chemistry WebBook:] synonym: "sodium sulfate, anhydrous" RELATED [NIST Chemistry WebBook:] synonym: "Sodium sulfate" EXACT [KEGG COMPOUND:] synonym: "disodium sulfate" RELATED [NIST Chemistry WebBook:] synonym: "O4S.2Na" RELATED FORMULA [KEGG COMPOUND:] synonym: "Na2O4S" RELATED FORMULA [ChEBI:] synonym: "[Na+].[Na+].[O-]S([O-])(=O)=O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/2Na.H2O4S/c;;1-5(2,3)4/h;;(H2,1,2,3,4)/q2*+1;/p-2" RELATED InChI [ChEBI:] synonym: "InChIKey=PMZURENOXWZQFD-UHFFFAOYSA-L" RELATED InChIKey [ChEBI:] xref: NIST Chemistry WebBook:7757-82-6 "CAS Registry Number" xref: ChemIDplus:7757-82-6 "CAS Registry Number" xref: KEGG COMPOUND:C13199 "KEGG COMPOUND" xref: KEGG COMPOUND:7757-82-6 "CAS Registry Number" is_a: CHEBI:38702 [Term] id: CHEBI:32586 name: sodium sulfate decahydrate def: "A hydrate that has formula Na2H20SO14." [] synonym: "disodium sulfate decahydrate" RELATED [ChemIDplus:] synonym: "Na2SO4.10H2O" RELATED [IUPAC:] synonym: "sodium sulfate decahydrate" EXACT [IUPAC:] synonym: "sodium sulfate--water (1/10)" EXACT IUPAC_NAME [IUPAC:] synonym: "sodium sulphate decahydrate" RELATED [ChEBI:] synonym: "Glauber's salt" RELATED [ChemIDplus:] synonym: "Glaubersalz" RELATED [ChEBI:] synonym: "Na2H20SO14" RELATED FORMULA [ChEBI:] synonym: "[Na+].[Na+].[H]O[H].[H]O[H].[H]O[H].[H]O[H].[H]O[H].[H]O[H].[H]O[H].[H]O[H].[H]O[H].[H]O[H].[O-]S([O-])(=O)=O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/2Na.H2O4S.10H2O/c;;1-5(2,3)4;;;;;;;;;;/h;;(H2,1,2,3,4);10*1H2/q2*+1;;;;;;;;;;;/p-2" RELATED InChI [ChEBI:] synonym: "InChIKey=RSIJVJUOQBWMIM-UHFFFAOYSA-L" RELATED InChIKey [ChEBI:] xref: ChemIDplus:7727-73-3 "CAS Registry Number" xref: Gmelin:7902 "Gmelin Registry Number" is_a: CHEBI:35505 relationship: has_part CHEBI:32149 [Term] id: CHEBI:38892 name: disodium tetraborate def: "An inorganic sodium salt that has formula B4H4Na2O9." [] synonym: "sodium 1,3,5,7-tetrahydroxybicyclo[3.3.1]tetraboroxane-1,5-diide" EXACT IUPAC_NAME [IUPAC:] synonym: "sodium tetraborate" RELATED [ChemIDplus:] synonym: "disodium tetraborate" EXACT [ChemIDplus:] synonym: "sodium borate anhydrous" RELATED [ChemIDplus:] synonym: "anhydrous borax" RELATED [NIST Chemistry WebBook:] synonym: "disodium tetraborate, anhydrous" RELATED [ChemIDplus:] synonym: "B4H4Na2O9" RELATED FORMULA [ChEBI:] synonym: "[Na+].[Na+].[H]OB1O[B-]2(O[H])OB(O[H])O[B-](O[H])(O1)O2" RELATED SMILES [ChEBI:] synonym: "InChI=1S/B4H4O9.2Na/c5-1-9-3(7)11-2(6)12-4(8,10-1)13-3;;/h5-8H;;/q-2;2*+1" RELATED InChI [ChEBI:] synonym: "InChIKey=LVSJLTMNAQBTPE-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: ChemIDplus:1330-43-4 "CAS Registry Number" xref: Gmelin:23561 "Gmelin Registry Number" xref: NIST Chemistry WebBook:1330-43-4 "CAS Registry Number" relationship: has_part CHEBI:38889 is_a: CHEBI:38702 [Term] id: CHEBI:38888 name: borax def: "A hydrate that has formula B4H20Na2O17." [] synonym: "sodium 1,3,5,7-tetrahydroxybicyclo[3.3.1]tetraboroxane-1,5-diide--water (1/8)" EXACT IUPAC_NAME [IUPAC:] synonym: "Na2[B4O5(OH)4].8H2O" RELATED [IUPAC:] synonym: "sodium borate decahydrate" RELATED [ChemIDplus:] synonym: "sodium tetraborate decahydrate" RELATED [ChemIDplus:] synonym: "borax" EXACT [ChemIDplus:] synonym: "Jaikin" RELATED [ChemIDplus:] synonym: "disodium tetraborate decahydrate" RELATED [ChemIDplus:] synonym: "B4H20Na2O17" RELATED FORMULA [ChEBI:] synonym: "[Na+].[Na+].[H]O[H].[H]O[H].[H]O[H].[H]O[H].[H]O[H].[H]O[H].[H]O[H].[H]O[H].[H]OB1O[B-]2(O[H])OB(O[H])O[B-](O[H])(O1)O2" RELATED SMILES [ChEBI:] synonym: "InChI=1S/B4H4O9.2Na.8H2O/c5-1-9-3(7)11-2(6)12-4(8,10-1)13-3;;;;;;;;;;/h5-8H;;;8*1H2/q-2;2*+1;;;;;;;;" RELATED InChI [ChEBI:] synonym: "InChIKey=OQSOCUIYOAGFKW-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: Gmelin:48074 "Gmelin Registry Number" xref: ChemIDplus:1303-96-4 "CAS Registry Number" is_a: CHEBI:35505 relationship: has_part CHEBI:38892 [Term] id: CHEBI:39289 name: trisodium hexafluoroaluminate def: "A perfluorometallate salt that has formula AlF6Na3." [] synonym: "trisodium (OC-6-11)-hexafluoroaluminate(3-)" RELATED [ChemIDplus:] synonym: "sodium aluminum hexafluoride" RELATED [ChemIDplus:] synonym: "trisodium hexafluoridoaluminate" EXACT IUPAC_NAME [IUPAC:] synonym: "sodium aluminum fluoride" RELATED [ChemIDplus:] synonym: "sodium hexafluoroaluminate" RELATED [ChemIDplus:] synonym: "trisodium aluminum hexafluoride" RELATED [ChemIDplus:] synonym: "aluminum trisodium hexafluoride" RELATED [ChemIDplus:] synonym: "Na3AlF6" RELATED [IUPAC:] synonym: "Na3[AlF6]" RELATED [IUPAC:] synonym: "trisodium hexafluoroaluminate" EXACT [ChemIDplus:] synonym: "sodium fluoroaluminate(3-)" RELATED [ChemIDplus:] synonym: "trisodium hexafluoroaluminate(3-)" RELATED [ChemIDplus:] synonym: "sodium hexafluoridoaluminate(III)" EXACT IUPAC_NAME [IUPAC:] synonym: "sodium hexafluoridoaluminate(3-)" EXACT IUPAC_NAME [IUPAC:] synonym: "AlF6Na3" RELATED FORMULA [ChEBI:] synonym: "[Na+].[Na+].[Na+].F[Al-3](F)(F)(F)(F)F" RELATED SMILES [ChEBI:] synonym: "InChI=1S/Al.6FH.3Na/h;6*1H;;;/q+3;;;;;;;3*+1/p-6" RELATED InChI [ChEBI:] synonym: "InChIKey=REHXRBDMVPYGJX-UHFFFAOYSA-H" RELATED InChIKey [ChEBI:] xref: ChemIDplus:13775-53-6 "CAS Registry Number" is_a: CHEBI:38702 relationship: has_part CHEBI:39288 is_a: CHEBI:51531 [Term] id: CHEBI:39290 name: cryolite def: "A mineral originally discovered in Greenland (first described 1799). The name is derived from the Greek kapparhoupsilonomicronsigma (frost) and lambdaiotathetaomicronsigma (stone)." [] synonym: "Eisstein" RELATED [ChEBI:] synonym: "Greenland spar" RELATED [ChemIDplus:] synonym: "ice spar" RELATED [ChemIDplus:] synonym: "Cryolite" EXACT [NIST Chemistry WebBook:] synonym: "Kryolith" RELATED [ChemIDplus:] synonym: "AlF6Na3" RELATED FORMULA [ChEBI:] xref: Gmelin:47306 "Gmelin Registry Number" xref: Gmelin:45203 "Gmelin Registry Number" xref: Gmelin:107552 "Gmelin Registry Number" xref: NIST Chemistry WebBook:15096-52-3 "CAS Registry Number" xref: ChemIDplus:15096-52-3 "CAS Registry Number" is_a: CHEBI:39289 relationship: has_role CHEBI:22153 is_a: CHEBI:39463 [Term] id: CHEBI:39302 name: beta-cryolite is_a: CHEBI:39290 [Term] id: CHEBI:39303 name: alpha-cryolite is_a: CHEBI:39290 [Term] id: CHEBI:39483 name: sodium dichromate def: "An inorganic sodium salt that has formula Cr2Na2O7." [] synonym: "sodium bichromate" RELATED [ChemIDplus:] synonym: "Natriumdichromat(VI)" RELATED [ChEBI:] synonym: "sodium dichromate" EXACT [ChemIDplus:] synonym: "sodium dichromate(VI)" EXACT IUPAC_NAME [IUPAC:] synonym: "Na2Cr2O7" RELATED [IUPAC:] synonym: "disodium dichromate" EXACT IUPAC_NAME [IUPAC:] synonym: "sodium dichromate(2-)" EXACT IUPAC_NAME [IUPAC:] synonym: "Na2[Cr2O7]" RELATED [ChEBI:] synonym: "bichromate of soda" RELATED [ChemIDplus:] synonym: "Natriumdichromat" RELATED [ChemIDplus:] synonym: "dichromic acid, disodium salt" RELATED [ChemIDplus:] synonym: "Cr2Na2O7" RELATED FORMULA [ChEBI:] synonym: "[Na+].[Na+].[O-][Cr](=O)(=O)O[Cr]([O-])(=O)=O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/2Cr.2Na.7O/q;;2*+1;;;;;;2*-1" RELATED InChI [ChEBI:] synonym: "InChIKey=KIEOKOFEPABQKJ-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: Gmelin:21597 "Gmelin Registry Number" xref: ChemIDplus:10588-01-9 "CAS Registry Number" is_a: CHEBI:38702 relationship: has_part CHEBI:33141 [Term] id: CHEBI:30178 name: sodium perborate def: "An inorganic sodium salt that has formula B2H4Na2O8." [] synonym: "Na2[B2(O2)2(OH)4]" RELATED [ChEBI:] synonym: "Sodium perborate" EXACT [ChemIDplus:] synonym: "disodium tetrahydroxidodi-mu-peroxido-diborate" EXACT IUPAC_NAME [IUPAC:] synonym: "B2H4Na2O8" RELATED FORMULA [ChEBI:] synonym: "[Na+].[Na+].O[B-]1(O)OO[B-](O)(O)OO1" RELATED SMILES [ChEBI:] synonym: "InChI=1S/B2H4O8.2Na/c3-1(4)7-9-2(5,6)10-8-1;;/h3-6H;;/q-2;2*+1" RELATED InChI [ChEBI:] synonym: "InChIKey=JBUKJLNBQDQXLI-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: Gmelin:121732 "Gmelin Registry Number" xref: ChemIDplus:15120-21-5 "CAS Registry Number" is_a: CHEBI:38702 relationship: has_part CHEBI:30175 [Term] id: CHEBI:50985 name: sodium borohydride def: "A metal tetrahydridoborate that has formula BH4Na." [] synonym: "sodium tetrahydroborate" RELATED [NIST Chemistry WebBook:] synonym: "sodium tetrahydroborate(1-)" RELATED [NIST Chemistry WebBook:] synonym: "NaBH4" RELATED [NIST Chemistry WebBook:] synonym: "borohydrure de sodium" RELATED [ChemIDplus:] synonym: "sodium tetrahydridoborate" EXACT IUPAC_NAME [IUPAC:] synonym: "sodium tetrahydridoborate(1-)" RELATED [ChemIDplus:] synonym: "BH4Na" RELATED FORMULA [ChEBI:] synonym: "[Na+].[H][B-]([H])([H])[H]" RELATED SMILES [ChEBI:] synonym: "InChI=1S/BH4.Na/h1H4;/q-1;+1" RELATED InChI [ChEBI:] synonym: "InChIKey=YOQDYZUWIQVZSF-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: NIST Chemistry WebBook:16940-66-2 "CAS Registry Number" xref: ChemIDplus:16940-66-2 "CAS Registry Number" xref: Gmelin:23167 "Gmelin Registry Number" is_a: CHEBI:38702 is_a: CHEBI:50987 [Term] id: CHEBI:53622 name: sodium aurothiosulfate def: "An inorganic salt of sodium, the anion of which is the aurothiosulfate(3-) linear coordination complex." [] synonym: "trisodium bis[sulfurothioic O,S-acidato(2-)-kappa(2)O,S]aurate(3-)" EXACT IUPAC_NAME [IUPAC:] synonym: "Sodium gold thiosulfate" RELATED [ChemIDplus:] synonym: "Gold sodium thiosulfate" RELATED [ChemIDplus:] synonym: "AuNa3O6S4" RELATED FORMULA [ChEBI:] synonym: "[Na+].[Na+].[Na+].O=S1(=O)O[Au-3]2(OS(=O)(=O)S2)S1" RELATED SMILES [ChEBI:] synonym: "InChI=1S/Au.3Na.2H2O3S2/c;;;;2*1-5(2,3)4/h;;;;2*(H2,1,2,3,4)/q4*+1;;/p-4" RELATED InChI [ChEBI:] synonym: "InChIKey=FJCMCHNDCIYVST-UHFFFAOYSA-J" RELATED InChIKey [ChEBI:] xref: ChemIDplus:15283-45-1 "CAS Registry Number" xref: CiteXplore:18837732 "PubMed citation" is_a: CHEBI:38702 relationship: has_part CHEBI:53623 [Term] id: CHEBI:278547 name: sodium azide def: "The sodium salt of hydrogen azide (hydrazoic acid)." [] synonym: "Azoture de sodium" RELATED [ChemIDplus:] synonym: "Natriumazid" RELATED [ChemIDplus:] synonym: "Hydrazoic acid, sodium salt" RELATED [ChemIDplus:] synonym: "N3Na" RELATED FORMULA [ChEBI:] synonym: "[Na+].[N-]=[N+]=[N-]" RELATED SMILES [ChEBI:] synonym: "InChI=1S/N3.Na/c1-3-2;/q-1;+1" RELATED InChI [ChEBI:] synonym: "InChIKey=PXIPVTKHYLBLMZ-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: Wikipedia:Sodium_azide "Wikipedia" xref: ChemIDplus:26628-22-8 "CAS Registry Number" is_a: CHEBI:22680 is_a: CHEBI:38702 relationship: has_role CHEBI:25435 relationship: has_role CHEBI:33282 relationship: has_role CHEBI:63490 [Term] id: CHEBI:59606 name: sodium hexachloroplatinate def: "A salt comprising separate sodium cations and octahedral [PtCl6](2-) anions." [] synonym: "sodium hexachloridoplatinate(IV)" EXACT IUPAC_NAME [IUPAC:] synonym: "Disodium hexachloroplatinate" RELATED [ChemIDplus:] synonym: "sodium hexachloridoplatinate(2-)" EXACT IUPAC_NAME [IUPAC:] synonym: "Cl6Na2Pt" RELATED FORMULA [ChEBI:] synonym: "[Na+].[Na+].Cl[Pt--](Cl)(Cl)(Cl)(Cl)Cl" RELATED SMILES [ChEBI:] synonym: "InChI=1S/6ClH.2Na.Pt/h6*1H;;;/q;;;;;;2*+1;+4/p-6" RELATED InChI [ChEBI:] synonym: "InChIKey=QGFSULIVEYGQQY-UHFFFAOYSA-H" RELATED InChIKey [ChEBI:] xref: CiteXplore:2936374 "PubMed citation" xref: ChemIDplus:16923-58-3 "CAS Registry Number" is_a: CHEBI:38702 relationship: has_part CHEBI:30119 [Term] id: CHEBI:59608 name: sodium tetrachloroplatinate def: "A salt comprising separate sodium cations and square planar [PtCl4](2-) anions." [] synonym: "sodium tetrachloridoplatinate(II)" EXACT IUPAC_NAME [IUPAC:] synonym: "Disodium tetrachloroplatinate(2-)" RELATED [ChemIDplus:] synonym: "Disodium tetrachloroplatinate" RELATED [ChemIDplus:] synonym: "Sodium chloroplatinite" RELATED [ChemIDplus:] synonym: "Platinous sodium chloride" RELATED [ChemIDplus:] synonym: "Sodium platinochloride" RELATED [ChemIDplus:] synonym: "sodium (SP-4-1)-tetrachloridoplatinate(2-)" EXACT IUPAC_NAME [IUPAC:] synonym: "sodium tetrachloridoplatinate(2-)" EXACT IUPAC_NAME [IUPAC:] synonym: "Cl4Na2Pt" RELATED FORMULA [ChEBI:] synonym: "[Na+].[Na+].Cl[Pt--](Cl)(Cl)Cl" RELATED SMILES [ChEBI:] synonym: "InChI=1S/4ClH.2Na.Pt/h4*1H;;;/q;;;;2*+1;+2/p-4" RELATED InChI [ChEBI:] synonym: "InChIKey=UXSGJRDAUMCHRP-UHFFFAOYSA-J" RELATED InChIKey [ChEBI:] xref: ChemIDplus:10026-00-3 "CAS Registry Number" xref: CiteXplore:2936374 "PubMed citation" xref: Gmelin:85214 "Gmelin Registry Number" is_a: CHEBI:38702 relationship: has_part CHEBI:30118 [Term] id: CHEBI:60720 name: sodium silicate def: "An inorganic sodium salt having silicate as the counterion." [] synonym: "Sodium sesquisilicate" RELATED [ChemIDplus:] synonym: "Sodium polysilicate" RELATED [ChemIDplus:] synonym: "sodium metasilicate" RELATED [ChEBI:] synonym: "Sodium silicate glass" RELATED [ChemIDplus:] synonym: "Sodium siliconate" RELATED [ChemIDplus:] synonym: "disodium oxosilanediolate" EXACT IUPAC_NAME [IUPAC:] synonym: "Na2O3Si" RELATED FORMULA [ChEBI:] synonym: "[Na+].[Na+].[O-][Si]([O-])=O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/2Na.O3Si/c;;1-4(2)3/q2*+1;-2" RELATED InChI [ChEBI:] synonym: "InChIKey=NTHWMYGWWRZVTN-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: CiteXplore:8991630 "PubMed citation" xref: Reaxys:11343143 "Reaxys Registry Number" xref: ChemIDplus:1344-09-8 "CAS Registry Number" is_a: CHEBI:38702 relationship: has_part CHEBI:48123 [Term] id: CHEBI:63005 name: sodium nitrate def: "The inorganic nitrate salt of sodium." [] synonym: "Cubic niter" RELATED [ChemIDplus:] synonym: "Sodium saltpeter" RELATED [ChemIDplus:] synonym: "sodium trioxidonitrate(1-)" EXACT IUPAC_NAME [IUPAC:] synonym: "sodium nitrate" EXACT IUPAC_NAME [IUPAC:] synonym: "Nitrate de sodium" RELATED [ChemIDplus:] synonym: "Nitric acid monosodium salt" RELATED [ChemIDplus:] synonym: "Sodium(I) nitrate (1:1)" RELATED [ChemIDplus:] synonym: "Chile saltpeter" RELATED [SUBMITTER:] synonym: "Niter" RELATED [ChemIDplus:] synonym: "Nitrate of soda" RELATED [ChemIDplus:] synonym: "Nitric acid, sodium salt" RELATED [ChemIDplus:] synonym: "Nitric acid sodium salt (1:1)" RELATED [ChemIDplus:] synonym: "Nitrate of soda" RELATED [SUBMITTER:] synonym: "NNaO3" RELATED FORMULA [ChEBI:] synonym: "[Na+].[O-][N+]([O-])=O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/NO3.Na/c2-1(3)4;/q-1;+1" RELATED InChI [ChEBI:] synonym: "InChIKey=VWDWKYIASSYTQR-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: Reaxys:11343077 "Reaxys Registry Number" xref: Wikipedia:Sodium_nitrate "Wikipedia" xref: ChemIDplus:7631-99-4 "CAS Registry Number" is_a: CHEBI:38702 is_a: CHEBI:51084 relationship: has_role CHEBI:33287 [Term] id: CHEBI:63940 name: sodium tungstate def: "An inorganic sodium salt having tungstate as the counterion. Combines with hydrogen peroxide for the oxidation of secondary amines to nitrones." [] synonym: "Sodium wolframate" RELATED [ChemIDplus:] synonym: "Tungstic acid, disodium salt" RELATED [ChemIDplus:] synonym: "Sodium tungsten oxide" RELATED [ChemIDplus:] synonym: "Disodium tetraoxotungstate" RELATED [ChemIDplus:] synonym: "Sodium tungstate(VI)" RELATED [ChemIDplus:] synonym: "Disodium tungstate" RELATED [ChemIDplus:] synonym: "Na2WO4" RELATED [ChEBI:] synonym: "sodium tetraoxotungstate(VI)" RELATED [ChEBI:] synonym: "Na2O4W" RELATED FORMULA [ChEBI:] synonym: "[Na+].[Na+].[O-][W]([O-])(=O)=O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/2Na.4O.W/q2*+1;;;2*-1;" RELATED InChI [ChEBI:] synonym: "InChIKey=XMVONEAAOPAGAO-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: Reaxys:11343345 "Reaxys Registry Number" xref: Wikipedia:Sodium_tungstate "Wikipedia" xref: ChemIDplus:13472-45-2 "CAS Registry Number" relationship: has_part CHEBI:46502 relationship: has_role CHEBI:33893 is_a: CHEBI:38702 [Term] id: CHEBI:63939 name: sodium tungstate dihydrate def: "A hydrate that is the dihydrate form of sodium tungstate. Combines with hydrogen peroxide for the oxidation of secondary amines to nitrones" [] synonym: "sodium orthotungstate dihydrate" RELATED [ChEBI:] synonym: "sodium dioxido(dioxo)tungsten--water (1/2)" EXACT IUPAC_NAME [IUPAC:] synonym: "Na2WO4.2H2O" RELATED [ChEBI:] synonym: "Tungstic acid, sodium salt, dihydrate" RELATED [ChemIDplus:] synonym: "sodium tungstate(VI) dihydrate" RELATED [ChEBI:] synonym: "H4Na2O6W" RELATED FORMULA [ChEBI:] synonym: "O.O.[Na+].[Na+].[O-][W]([O-])(=O)=O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/2Na.2H2O.4O.W/h;;2*1H2;;;;;/q2*+1;;;;;2*-1;" RELATED InChI [ChEBI:] synonym: "InChIKey=WPZFLQRLSGVIAA-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: Wikipedia:Sodium_tungstate "Wikipedia" xref: ChemIDplus:10213-10-2 "CAS Registry Number" xref: NIST Chemistry WebBook:10213-10-2 "CAS Registry Number" xref: Reaxys:13157884 "Reaxys Registry Number" is_a: CHEBI:35505 relationship: has_role CHEBI:33893 relationship: has_part CHEBI:63940 [Term] id: CHEBI:65242 name: sodium chlorate def: "An inorganic chlorate salt of sodium with role as a herbicide." [] synonym: "sodium chlorate" EXACT IUPAC_NAME [IUPAC:] synonym: "Chlorate salt of sodium" RELATED [ChemIDplus:] synonym: "Chlorate de sodium" RELATED [ChemIDplus:] synonym: "Chlorsaure" RELATED [ChemIDplus:] synonym: "Chloric acid, sodium salt" RELATED [ChemIDplus:] synonym: "ClNaO3" RELATED FORMULA [ChEBI:] synonym: "[Na+].[O-]Cl(=O)=O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/ClHO3.Na/c2-1(3)4;/h(H,2,3,4);/q;+1/p-1" RELATED InChI [ChEBI:] synonym: "InChIKey=YZHUMGUJCQRKBT-UHFFFAOYSA-M" RELATED InChIKey [ChEBI:] xref: ChemIDplus:7775-09-9 "CAS Registry Number" xref: Wikipedia:Sodium_chlorate "Wikipedia" xref: KEGG COMPOUND:C18765 "KEGG COMPOUND" xref: Reaxys:11332523 "Reaxys Registry Number" xref: CiteXplore:22366135 "PubMed citation" xref: CiteXplore:22205670 "PubMed citation" is_a: CHEBI:38702 relationship: has_role CHEBI:24527 relationship: has_part CHEBI:49709 [Term] id: CHEBI:66870 name: sodium dithionite def: "An inorganic sodium salt that is the disodium salt of dithionous acid." [] synonym: "sodium hydrosulfite" RELATED [SUBMITTER:] synonym: "disodium dithionite" EXACT IUPAC_NAME [IUPAC:] synonym: "sodium sulfoxylate" RELATED [SUBMITTER:] synonym: "Na2O4S2" RELATED FORMULA [ChEBI:] synonym: "[Na+].[Na+].[O-]S(=O)S([O-])=O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/2Na.H2O4S2/c;;1-5(2)6(3)4/h;;(H,1,2)(H,3,4)/q2*+1;/p-2" RELATED InChI [ChEBI:] synonym: "InChIKey=JVBXVOWTABLYPX-UHFFFAOYSA-L" RELATED InChIKey [ChEBI:] xref: Wikipedia:Sodium_dithionite "Wikipedia" xref: SUBMITTER:7775-14-6 "CAS Registry Number" xref: Reaxys:1210429 "Reaxys Registry Number" xref: ChemIDplus:7775-14-6 "CAS Registry Number" is_a: CHEBI:38702 relationship: has_part CHEBI:42160 relationship: has_role CHEBI:63247 [Term] id: CHEBI:71240 name: sodium diphosphate def: "An inorganic sodium salt comprised of a diphosphate(4-) anion and four sodium(1+) cations. More commonly known as tetrasodium pyrophosphate, it finds much use in the food industry as an emulsifier and in dental hygiene as a calcium-chelating salt." [] synonym: "sodium diphosphate" EXACT IUPAC_NAME [IUPAC:] synonym: "Diphosphoric acid, tetrasodium salt" RELATED [ChemIDplus:] synonym: "Tetrasodium pyrophosphate" RELATED [ChemIDplus:] synonym: "Natrium pyrophosphat" RELATED [ChemIDplus:] synonym: "Pyrophosphoric acid tetrasodium salt" RELATED [ChemIDplus:] synonym: "Sodium pyrophosphate" RELATED [ChemIDplus:] synonym: "TSPP" RELATED [ChemIDplus:] synonym: "Na4O7P2" RELATED FORMULA [ChEBI:] synonym: "[Na+].[Na+].[Na+].[Na+].[O-]P([O-])(=O)OP([O-])([O-])=O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/4Na.H4O7P2/c;;;;1-8(2,3)7-9(4,5)6/h;;;;(H2,1,2,3)(H2,4,5,6)/q4*+1;/p-4" RELATED InChI [ChEBI:] synonym: "InChIKey=FQENQNTWSFEDLI-UHFFFAOYSA-J" RELATED InChIKey [ChEBI:] xref: CiteXplore:21854899 "PubMed citation" xref: Reaxys:11329446 "Reaxys Registry Number" xref: CiteXplore:19038924 "PubMed citation" xref: CiteXplore:22125775 "PubMed citation" xref: CiteXplore:20501039 "PubMed citation" xref: ChemIDplus:7722-88-5 "CAS Registry Number" xref: CiteXplore:22099944 "PubMed citation" xref: Wikipedia:Tetrasodium_pyrophosphate "Wikipedia" xref: CiteXplore:22916886 "PubMed citation" xref: CiteXplore:20686342 "PubMed citation" xref: CiteXplore:22809121 "PubMed citation" is_a: CHEBI:38702 relationship: has_part CHEBI:18361 relationship: has_role CHEBI:63047 relationship: has_role CHEBI:38161 [Term] id: CHEBI:63675 name: sodium succinate (anhydrous) def: "A sodium salt that is the disodium salt of succinic acid. The hexahydrate form is used as an ingredient of topical preparations for the treatment of cataract." [] synonym: "disodium succinate (anhydrous)" RELATED [ChEBI:] synonym: "disodium succinate (anh.)" RELATED [ChEBI:] synonym: "disodium succinate" RELATED [ChemIDplus:] synonym: "anhydrous sodium succinate" RELATED [ChEBI:] synonym: "anhydrous disodium succinate" RELATED [ChEBI:] synonym: "disodium butanedioate" EXACT IUPAC_NAME [IUPAC:] synonym: "Succinic acid disodium salt" RELATED [SUBMITTER:] synonym: "C4H4Na2O4" RELATED FORMULA [ChEBI:] synonym: "[Na+].[Na+].[O-]C(=O)CCC([O-])=O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C4H6O4.2Na/c5-3(6)1-2-4(7)8;;/h1-2H2,(H,5,6)(H,7,8);;/q;2*+1/p-2" RELATED InChI [ChEBI:] synonym: "InChIKey=ZDQYSKICYIVCPN-UHFFFAOYSA-L" RELATED InChIKey [ChEBI:] xref: ChemIDplus:150-90-3 "CAS Registry Number" xref: Reaxys:3917246 "Reaxys Registry Number" xref: SUBMITTER:3917246 "Beilstein Registry Number" is_a: CHEBI:26714 relationship: has_part CHEBI:30031 [Term] id: CHEBI:63686 name: sodium succinate hexahydrate def: "A hydrate that is the hexahydrate form of sodium succinate. It is used as an ingredient of topical preparations for the treatment of cataract." [] synonym: "Succinic acid disodium salt hexahydrate" RELATED [ChEBI:] synonym: "disodium butanedioate hexahydrate" RELATED [ChEBI:] synonym: "disodium succinate hexahydrate" RELATED [ChEBI:] synonym: "disodium butanedioate--water(1/6)" EXACT IUPAC_NAME [IUPAC:] synonym: "disodium succinate.6H2O" RELATED [ChEBI:] synonym: "sodium succinate.6H2O" RELATED [ChEBI:] synonym: "disodium butanedioate.6H2O" RELATED [ChEBI:] synonym: "C4H16Na2O10" RELATED FORMULA [ChEBI:] synonym: "O.O.O.O.O.O.[Na+].[Na+].[O-]C(=O)CCC([O-])=O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C4H6O4.2Na.6H2O/c5-3(6)1-2-4(7)8;;;;;;;;/h1-2H2,(H,5,6)(H,7,8);;;6*1H2/q;2*+1;;;;;;/p-2" RELATED InChI [ChEBI:] synonym: "InChIKey=ZBTUYCUNQBRXOR-UHFFFAOYSA-L" RELATED InChIKey [ChEBI:] xref: ChemIDplus:6106-21-4 "CAS Registry Number" xref: Reaxys:3921044 "Reaxys Registry Number" is_a: CHEBI:35505 relationship: has_part CHEBI:63675 relationship: has_role CHEBI:50733 [Term] id: CHEBI:29103 name: potassium(1+) alt_id: CHEBI:49685 alt_id: CHEBI:26219 alt_id: CHEBI:8345 def: "A monoatomic monocation obtained from potassium." [] synonym: "potassium cation" EXACT IUPAC_NAME [IUPAC:] synonym: "potassium(1+)" EXACT IUPAC_NAME [IUPAC:] synonym: "K(+)" RELATED [UniProt:] synonym: "POTASSIUM ION" RELATED [PDBeChem:] synonym: "K+" RELATED [KEGG COMPOUND:] synonym: "K(+)" RELATED [IUPAC:] synonym: "potassium(I) cation" EXACT IUPAC_NAME [IUPAC:] synonym: "potassium(1+) ion" EXACT IUPAC_NAME [IUPAC:] synonym: "K" RELATED FORMULA [KEGG COMPOUND:] synonym: "[K+]" RELATED SMILES [ChEBI:] synonym: "InChI=1S/K/q+1" RELATED InChI [ChEBI:] synonym: "InChIKey=NPYPAHLBTDXSSS-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: Gmelin:15203 "Gmelin Registry Number" xref: NIST Chemistry WebBook:24203-36-9 "CAS Registry Number" xref: PDBeChem:K "PDBeChem" xref: KEGG COMPOUND:C00238 "KEGG COMPOUND" is_a: CHEBI:33504 is_a: CHEBI:37247 is_a: CHEBI:60242 is_a: CHEBI:25414 [Term] id: CHEBI:26218 name: potassium salt def: "Any alkali metal salt having potassium(1+) as the cation." [] synonym: "potassium salts" RELATED [ChEBI:] synonym: "Kaliumsalze" RELATED [ChEBI:] synonym: "Kaliumsalz" RELATED [ChEBI:] is_a: CHEBI:26217 is_a: CHEBI:35479 relationship: has_part CHEBI:29103 [Term] id: CHEBI:32029 name: potassium acetate def: "A potassium salt that has formula C2H3O2.K." [] synonym: "AcOK" RELATED [ChEBI:] synonym: "Potassium acetate" EXACT [KEGG COMPOUND:] synonym: "KOAc" RELATED [ChEBI:] synonym: "E261" RELATED [ChEBI:] synonym: "MeCO2K" RELATED [ChEBI:] synonym: "CH3CO2K" RELATED [ChEBI:] synonym: "potassium acetate" EXACT IUPAC_NAME [IUPAC:] synonym: "Kaliumazetat" RELATED [ChEBI:] synonym: "C2H3O2.K" RELATED FORMULA [KEGG COMPOUND:] synonym: "C2H3KO2" RELATED FORMULA [ChEBI:] synonym: "[K+].CC([O-])=O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C2H4O2.K/c1-2(3)4;/h1H3,(H,3,4);/q;+1/p-1" RELATED InChI [ChEBI:] synonym: "InChIKey=SCVFZCLFOSHCOH-UHFFFAOYSA-M" RELATED InChIKey [ChEBI:] xref: ChemIDplus:127-08-2 "CAS Registry Number" xref: NIST Chemistry WebBook:127-08-2 "CAS Registry Number" xref: Wikipedia:Potassium_Acetate "Wikipedia" xref: KEGG COMPOUND:C12554 "KEGG COMPOUND" xref: KEGG COMPOUND:127-08-2 "CAS Registry Number" is_a: CHEBI:26218 relationship: has_role CHEBI:64049 [Term] id: CHEBI:32030 name: potassium bromide def: "A metal bromide salt with a K(+) counterion." [] synonym: "KBr" RELATED [IUPAC:] synonym: "Potassium bromide" EXACT [KEGG COMPOUND:] synonym: "Kaliumbromid" RELATED [ChEBI:] synonym: "potassium bromide" EXACT IUPAC_NAME [IUPAC:] synonym: "BrK" RELATED FORMULA [ChEBI:] synonym: "Br.K" RELATED FORMULA [KEGG COMPOUND:] synonym: "[K+].[Br-]" RELATED SMILES [ChEBI:] synonym: "InChI=1S/BrH.K/h1H;/q;+1/p-1" RELATED InChI [ChEBI:] synonym: "InChIKey=IOLCXVTUBQKXJR-UHFFFAOYSA-M" RELATED InChIKey [ChEBI:] xref: KEGG COMPOUND:7758-02-3 "CAS Registry Number" xref: KEGG COMPOUND:C13198 "KEGG COMPOUND" xref: ChemIDplus:7758-02-3 "CAS Registry Number" xref: NIST Chemistry WebBook:7758-02-3 "CAS Registry Number" is_a: CHEBI:26218 [Term] id: CHEBI:8346 name: potassium iodide def: "A metal iodide salt with a K(+) counterion." [] synonym: "KI" RELATED [IUPAC:] synonym: "Kaliumiodid" RELATED [ChEBI:] synonym: "Potassium iodide" EXACT [KEGG COMPOUND:] synonym: "potassium iodide" EXACT IUPAC_NAME [IUPAC:] synonym: "IK" RELATED FORMULA [ChEBI:] synonym: "K.I" RELATED FORMULA [KEGG COMPOUND:] synonym: "[K+].[I-]" RELATED SMILES [ChEBI:] synonym: "InChI=1S/HI.K/h1H;/q;+1/p-1" RELATED InChI [ChEBI:] synonym: "InChIKey=NLKNQRATVPKPDG-UHFFFAOYSA-M" RELATED InChIKey [ChEBI:] xref: KEGG COMPOUND:7681-11-0 "CAS Registry Number" xref: Wikipedia:Potassium_Iodide "Wikipedia" xref: CiteXplore:15206581 "PubMed citation" xref: KEGG COMPOUND:C08219 "KEGG COMPOUND" xref: NIST Chemistry WebBook:7681-11-0 "CAS Registry Number" xref: ChemIDplus:7681-11-0 "CAS Registry Number" is_a: CHEBI:26218 [Term] id: CHEBI:32036 name: potassium sulfate def: "A potassium salt that has formula K2O4S." [] synonym: "K2SO4" RELATED [IUPAC:] synonym: "potassium sulphate" RELATED [ChEBI:] synonym: "dipotassium sulfate" RELATED [ChemIDplus:] synonym: "Kaliumsulfat" RELATED [ChEBI:] synonym: "Potassium sulfate" EXACT [KEGG COMPOUND:] synonym: "potassium sulfate" EXACT IUPAC_NAME [IUPAC:] synonym: "K2O4S" RELATED FORMULA [ChEBI:] synonym: "O4S.2K" RELATED FORMULA [KEGG COMPOUND:] synonym: "[K+].[K+].[O-]S([O-])(=O)=O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/2K.H2O4S/c;;1-5(2,3)4/h;;(H2,1,2,3,4)/q2*+1;/p-2" RELATED InChI [ChEBI:] synonym: "InChIKey=OTYBMLCTZGSZBG-UHFFFAOYSA-L" RELATED InChIKey [ChEBI:] xref: ChemIDplus:7778-80-5 "CAS Registry Number" xref: NIST Chemistry WebBook:7778-80-5 "CAS Registry Number" xref: KEGG COMPOUND:7778-80-5 "CAS Registry Number" xref: KEGG COMPOUND:C13192 "KEGG COMPOUND" is_a: CHEBI:26218 [Term] id: CHEBI:30060 name: potassium hexacyanoferrate(3-) def: "A hexacyanoferrate(3-) salt that has formula C6FeK3N6." [] synonym: "potassium hexacyanidoferrate(III)" EXACT IUPAC_NAME [IUPAC:] synonym: "Kaliumhexazyanoferrat(III)" RELATED [ChEBI:] synonym: "tripotassium hexacyanidoferrate" EXACT IUPAC_NAME [IUPAC:] synonym: "potassium hexacyanidoferrate(3-)" EXACT IUPAC_NAME [IUPAC:] synonym: "K3[Fe(CN)6]" RELATED [IUPAC:] synonym: "rotes Blutlaugensalz" RELATED [ChEBI:] synonym: "tripotassium hexacyanoferrate" RELATED [ChemIDplus:] synonym: "potassium ferricyanide" RELATED [ChemIDplus:] synonym: "red prussiate" RELATED [ChemIDplus:] synonym: "C6FeK3N6" RELATED FORMULA [ChEBI:] synonym: "[K+].[K+].[K+].N#C[Fe-3](C#N)(C#N)(C#N)(C#N)C#N" RELATED SMILES [ChEBI:] synonym: "InChI=1S/6CN.Fe.3K/c6*1-2;;;;/q;;;;;;-3;3*+1" RELATED InChI [ChEBI:] synonym: "InChIKey=MIMJFNVDBPUTPB-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: ChemIDplus:13746-66-2 "CAS Registry Number" xref: Gmelin:21683 "Gmelin Registry Number" is_a: CHEBI:26218 is_a: CHEBI:36296 [Term] id: CHEBI:30059 name: potassium hexacyanoferrate(4-) def: "A hexacyanoferrate(4-) salt that has formula C6FeK4N6." [] synonym: "K4[Fe(CN)6]" RELATED [IUPAC:] synonym: "tetrapotassium hexacyanidoferrate" EXACT IUPAC_NAME [IUPAC:] synonym: "potassium hexacyanidoferrate(II)" EXACT IUPAC_NAME [IUPAC:] synonym: "potassium hexacyanidoferrate(4-)" EXACT IUPAC_NAME [IUPAC:] synonym: "gelbes Blutlaugensalz" RELATED [ChEBI:] synonym: "Kaliumhexazyanoferrat(II)" RELATED [ChEBI:] synonym: "tetrapotassium hexacyanoferrate" RELATED [ChemIDplus:] synonym: "potassium ferrocyanide" RELATED [ChemIDplus:] synonym: "C6FeK4N6" RELATED FORMULA [ChEBI:] synonym: "[K+].[K+].[K+].[K+].N#C[Fe-4](C#N)(C#N)(C#N)(C#N)C#N" RELATED SMILES [ChEBI:] synonym: "InChI=1S/6CN.Fe.4K/c6*1-2;;;;;/q;;;;;;-4;4*+1" RELATED InChI [ChEBI:] synonym: "InChIKey=OCPOWIWGGAATRP-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: ChemIDplus:13943-58-3 "CAS Registry Number" xref: Gmelin:21495 "Gmelin Registry Number" is_a: CHEBI:26218 is_a: CHEBI:36294 [Term] id: CHEBI:30057 name: potassium dicyanoaurate(1-) def: "A potassium salt that has formula C2AuKN2." [] synonym: "potassium dicyanidoaurate(1-)" EXACT IUPAC_NAME [IUPAC:] synonym: "potassium dicyanidoaurate(I)" EXACT IUPAC_NAME [IUPAC:] synonym: "K[Au(CN)2]" RELATED [IUPAC:] synonym: "potassium dicyanoaurate(I)" RELATED [ChemIDplus:] synonym: "monopotassium dicyanoaurate" RELATED [ChemIDplus:] synonym: "potassium bis(cyano-kappaC)aurate(1-)" RELATED [ChemIDplus:] synonym: "potassium dicyanaurate" RELATED [ChemIDplus:] synonym: "C2AuKN2" RELATED FORMULA [ChEBI:] synonym: "[K+].N#C[Au-]C#N" RELATED SMILES [ChEBI:] synonym: "InChI=1S/2CN.Au.K/c2*1-2;;/q;;-1;+1" RELATED InChI [ChEBI:] synonym: "InChIKey=OQHPFUBKFKRHKZ-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: Beilstein:6235525 "Beilstein Registry Number" xref: ChemIDplus:13967-50-5 "CAS Registry Number" xref: Gmelin:37363 "Gmelin Registry Number" relationship: has_part CHEBI:49491 is_a: CHEBI:26218 [Term] id: CHEBI:30071 name: potassium tetracyanonickelate(2-) def: "A potassium salt that has formula C4K2N4Ni." [] synonym: "potassium tetracyanidonickelate(II)" EXACT IUPAC_NAME [IUPAC:] synonym: "potassium tetracyanidonickelate(2-)" EXACT IUPAC_NAME [IUPAC:] synonym: "dipotassium tetracyanidonickelate" EXACT IUPAC_NAME [IUPAC:] synonym: "K2[Ni(CN)4]" RELATED [IUPAC:] synonym: "C4K2N4Ni" RELATED FORMULA [ChEBI:] synonym: "[K+].[K+].N#C[Ni--](C#N)(C#N)C#N" RELATED SMILES [ChEBI:] synonym: "InChI=1S/4CN.2K.Ni/c4*1-2;;;/q;;;;2*+1;-2" RELATED InChI [ChEBI:] synonym: "InChIKey=QOOHKAMDWOKKBR-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: ChemIDplus:14220-17-8 "CAS Registry Number" is_a: CHEBI:26218 relationship: has_part CHEBI:49928 [Term] id: CHEBI:30070 name: potassium tetracyanonickelate(4-) def: "A potassium salt that has formula C4K4N4Ni." [] synonym: "potassium tetracyanidonickelate(0)" EXACT IUPAC_NAME [IUPAC:] synonym: "potassium tetracyanidonickelate(4-)" EXACT IUPAC_NAME [IUPAC:] synonym: "tetrapotassium tetracyanidonickelate" RELATED [IUPAC:] synonym: "K4[Ni(CN)4]" RELATED [IUPAC:] synonym: "C4K4N4Ni" RELATED FORMULA [ChEBI:] synonym: "[K+].[K+].[K+].[K+].N#C[Ni-4](C#N)(C#N)C#N" RELATED SMILES [ChEBI:] synonym: "InChI=1S/4CN.4K.Ni/c4*1-2;;;;;/q;;;;4*+1;-4" RELATED InChI [ChEBI:] synonym: "InChIKey=LBZUHFVEEMKOAO-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] is_a: CHEBI:26218 relationship: has_part CHEBI:30368 [Term] id: CHEBI:35657 name: potassium osmiamate def: "A potassium salt that has formula KNO3Os." [] synonym: "potassium nitridotrioxidoosmate(VIII)" EXACT IUPAC_NAME [IUPAC:] synonym: "potassium nitridotrioxidoosmate" EXACT IUPAC_NAME [IUPAC:] synonym: "K[OsN(O)3]" RELATED [IUPAC:] synonym: "KNO3Os" RELATED FORMULA [ChEBI:] synonym: "[K+].[O-][Os](=O)(=O)#N" RELATED SMILES [ChEBI:] synonym: "InChI=1S/K.N.3O.Os/q+1;;;;-1;" RELATED InChI [ChEBI:] synonym: "InChIKey=GHMHNAKIJDYPIP-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: Gmelin:13067 "Gmelin Registry Number" is_a: CHEBI:26218 relationship: has_part CHEBI:35656 [Term] id: CHEBI:35659 name: potassium pentachloro(nitrido)osmate(2-) def: "A chlorometallate salt that has formula Cl5K2NOs." [] synonym: "K2[OsCl5N]" RELATED [IUPAC:] synonym: "potassium pentachloridonitridoosmate(VI)" EXACT IUPAC_NAME [IUPAC:] synonym: "potassium pentachloridonitridoosmate(2-)" EXACT IUPAC_NAME [IUPAC:] synonym: "Cl5K2NOs" RELATED FORMULA [ChEBI:] synonym: "[K+].[K+].Cl[Os--](Cl)(Cl)(Cl)(Cl)#N" RELATED SMILES [ChEBI:] synonym: "InChI=1S/5ClH.2K.N.Os/h5*1H;;;;/q;;;;;2*+1;;+3/p-5" RELATED InChI [ChEBI:] synonym: "InChIKey=MXSUXDWBAVUTSN-UHFFFAOYSA-I" RELATED InChIKey [ChEBI:] xref: Gmelin:36326 "Gmelin Registry Number" is_a: CHEBI:26218 relationship: has_part CHEBI:35658 is_a: CHEBI:51533 [Term] id: CHEBI:38211 name: potassium bromate def: "A bromate salt that has formula BrKO3." [] synonym: "potassium trioxidobromate(1-)" EXACT IUPAC_NAME [IUPAC:] synonym: "E924" RELATED [ChEBI:] synonym: "Bromic acid, potassium salt" RELATED [ChemIDplus:] synonym: "potassium trioxobromate" RELATED [NIST Chemistry WebBook:] synonym: "potassium bromate" EXACT IUPAC_NAME [IUPAC:] synonym: "BrKO3" RELATED FORMULA [NIST Chemistry WebBook:] synonym: "BrO3.K" RELATED FORMULA [ChemIDplus:] synonym: "[K+].[O-]Br(=O)=O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/BrHO3.K/c2-1(3)4;/h(H,2,3,4);/q;+1/p-1" RELATED InChI [ChEBI:] synonym: "InChIKey=OCATYIAKPYKMPG-UHFFFAOYSA-M" RELATED InChIKey [ChEBI:] xref: ChemIDplus:7758-01-2 "CAS Registry Number" xref: Gmelin:15380 "Gmelin Registry Number" is_a: CHEBI:26218 is_a: CHEBI:22923 relationship: has_role CHEBI:64577 [Term] id: CHEBI:4508 name: diclofenac potassium def: "The potassium salt of diclofenac." [] synonym: "Cataflam" RELATED BRAND_NAME [DrugBank:] synonym: "2-((2,6-dichlorophenyl)amino)benzeneacetic acid, monopotassium salt" RELATED [ChemIDplus:] synonym: "potassium {2-[(2,6-dichlorophenyl)amino]phenyl}acetate" EXACT IUPAC_NAME [IUPAC:] synonym: "C14H10Cl2NO2.K" RELATED FORMULA [KEGG DRUG:] synonym: "C14H10Cl2KNO2" RELATED FORMULA [ChEBI:] synonym: "[K+].[O-]C(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C14H11Cl2NO2.K/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19;/h1-7,17H,8H2,(H,18,19);/q;+1/p-1" RELATED InChI [ChEBI:] synonym: "InChIKey=KXZOIWWTXOCYKR-UHFFFAOYSA-M" RELATED InChIKey [ChEBI:] xref: Beilstein:6625757 "Beilstein Registry Number" xref: DrugBank:DB00586 "DrugBank" xref: ChemIDplus:15307-81-0 "CAS Registry Number" xref: KEGG DRUG:D00903 "KEGG DRUG" xref: CiteXplore:1502708 "PubMed citation" is_a: CHEBI:26218 relationship: has_part CHEBI:48311 [Term] id: CHEBI:30951 name: potassium thiocyanate def: "A potassium salt which is the monopotassium salt of thiocyanic acid." [] synonym: "potassium rhodanate" RELATED [NIST Chemistry WebBook:] synonym: "Rhocya" RELATED [NIST Chemistry WebBook:] synonym: "KSCN" RELATED [IUPAC:] synonym: "potassium rhodanide" RELATED [NIST Chemistry WebBook:] synonym: "potassium thiocyanate" EXACT IUPAC_NAME [IUPAC:] synonym: "potassium sulfocyanate" RELATED [NIST Chemistry WebBook:] synonym: "CKNS" RELATED FORMULA [NIST Chemistry WebBook:] synonym: "[K+].[S-]C#N" RELATED SMILES [ChEBI:] synonym: "InChI=1S/CHNS.K/c2-1-3;/h3H;/q;+1/p-1" RELATED InChI [ChEBI:] synonym: "InChIKey=ZNNZYHKDIALBAK-UHFFFAOYSA-M" RELATED InChIKey [ChEBI:] xref: NIST Chemistry WebBook:333-20-0 "CAS Registry Number" xref: Gmelin:21362 "Gmelin Registry Number" xref: ChemIDplus:333-20-0 "CAS Registry Number" xref: Beilstein:3594799 "Beilstein Registry Number" is_a: CHEBI:26218 relationship: has_part CHEBI:18022 [Term] id: CHEBI:53444 name: potassium dichromate def: "The dipotassium salt of dichromic acid." [] synonym: "Potassium dichromate(VI)" RELATED [ChemIDplus:] synonym: "Dipotassium dichromate" RELATED [ChemIDplus:] synonym: "Chromium potassium oxide" RELATED [ChemIDplus:] synonym: "potassium dichromate(VI)" EXACT IUPAC_NAME [IUPAC:] synonym: "Kaliumdichromat" RELATED [ChemIDplus:] synonym: "dipotassium dichromate" EXACT IUPAC_NAME [IUPAC:] synonym: "Dipotassium dichromium heptaoxide" RELATED [ChemIDplus:] synonym: "Dipotassium bichromate" RELATED [ChemIDplus:] synonym: "potassium dichromate(2-)" EXACT IUPAC_NAME [IUPAC:] synonym: "Dichromic acid dipotassium salt" RELATED [ChemIDplus:] synonym: "Cr2K2O7" RELATED FORMULA [ChEBI:] synonym: "[K+].[K+].[O-][Cr](=O)(=O)O[Cr]([O-])(=O)=O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/2Cr.2K.7O/q;;2*+1;;;;;;2*-1" RELATED InChI [ChEBI:] synonym: "InChIKey=KMUONIBRACKNSN-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: CiteXplore:8566016 "PubMed citation" xref: NIST Chemistry WebBook:7778-50-9 "CAS Registry Number" xref: CiteXplore:21616561 "PubMed citation" xref: CiteXplore:18837732 "PubMed citation" xref: ChemIDplus:7778-50-9 "CAS Registry Number" xref: CiteXplore:7687268 "PubMed citation" is_a: CHEBI:26218 relationship: has_part CHEBI:33141 [Term] id: CHEBI:59591 name: clorazepate monopotassium def: "The potassium salt of clorazepic acid." [] synonym: "monopotassium clorazepate" RELATED [ChemIDplus:] synonym: "potassium 7-chloro-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepine-3-carboxylate" EXACT IUPAC_NAME [IUPAC:] synonym: "potassium 7-chloro-2,3-dihydro-2-oxo-5-phenyl-1H-1,4-benzodiazepine-3-carboxylate" RELATED [ChemIDplus:] synonym: "C16H10ClKN2O3" RELATED FORMULA [ChEBI:] synonym: "[K+].[O-]C(=O)C1N=C(c2ccccc2)c2cc(Cl)ccc2NC1=O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C16H11ClN2O3.K/c17-10-6-7-12-11(8-10)13(9-4-2-1-3-5-9)19-14(16(21)22)15(20)18-12;/h1-8,14H,(H,18,20)(H,21,22);/q;+1/p-1" RELATED InChI [ChEBI:] synonym: "InChIKey=ULEUKTXFAJZAAV-UHFFFAOYSA-M" RELATED InChIKey [ChEBI:] xref: ChemIDplus:5991-71-9 "CAS Registry Number" xref: KEGG DRUG:D03562 "KEGG DRUG" xref: Beilstein:697246 "Beilstein Registry Number" is_a: CHEBI:26218 relationship: has_part CHEBI:59590 relationship: has_role CHEBI:35474 relationship: has_role CHEBI:50266 [Term] id: CHEBI:3762 name: dipotassium clorazepate def: "The compound of monopotassium clorazepate with potassium hydroxide. It is used for the management of anxiety disorders, for the short-term relief of anxiety, as adjunctive therapy in the management of epilepsy, and for the symptomatic relief of acute alcohol withdrawal." [] synonym: "dipotassium clorazepate" RELATED INN [ChEBI:] synonym: "clorazepate dipotassique" RELATED INN [ChemIDplus:] synonym: "dipotassium 7-chloro-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepine-3-carboxylate hydroxide" EXACT IUPAC_NAME [IUPAC:] synonym: "clorazepato dipotasico" RELATED INN [ChemIDplus:] synonym: "Clorazepate dipotassium" RELATED [KEGG DRUG:] synonym: "dikalii clorazepas" RELATED INN [ChemIDplus:] synonym: "bipotassium chlorazepate" RELATED [ChemIDplus:] synonym: "C16H11ClK2N2O4" RELATED FORMULA [ChEBI:] synonym: "[OH-].[K+].[K+].[O-]C(=O)C1N=C(c2ccccc2)c2cc(Cl)ccc2NC1=O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C16H11ClN2O3.2K.H2O/c17-10-6-7-12-11(8-10)13(9-4-2-1-3-5-9)19-14(16(21)22)15(20)18-12;;;/h1-8,14H,(H,18,20)(H,21,22);;;1H2/q;2*+1;/p-2" RELATED InChI [ChEBI:] synonym: "InChIKey=QCHSEDTUUKDTIG-UHFFFAOYSA-L" RELATED InChIKey [ChEBI:] xref: KEGG DRUG:57109-90-7 "CAS Registry Number" xref: DrugBank:DB00628 "DrugBank" xref: KEGG DRUG:D00694 "KEGG DRUG" xref: ChemIDplus:57109-90-7 "CAS Registry Number" xref: Beilstein:9747917 "Beilstein Registry Number" is_a: CHEBI:26218 relationship: has_part CHEBI:59591 relationship: has_role CHEBI:50266 relationship: has_role CHEBI:35623 relationship: has_role CHEBI:35474 relationship: has_role CHEBI:50268 [Term] id: CHEBI:62953 name: aminocyclopyrachlor potassium def: "The potassium salt of aminocyclopyrachlor." [] synonym: "Aminocyclopyrachlor-potassium" RELATED [ChemIDplus:] synonym: "potassium 6-amino-5-chloro-2-cyclopropylpyrimidine-4-carboxylate" EXACT IUPAC_NAME [IUPAC:] synonym: "Imprelis" RELATED BRAND_NAME [ChEBI:] synonym: "6-amino-5-chloro-2-cyclopropyl-4-pyrimidinecarboxyllic acid potassium salt" RELATED [ChEBI:] synonym: "C8H7ClKN3O2" RELATED FORMULA [ChEBI:] synonym: "[K+].Nc1nc(nc(C([O-])=O)c1Cl)C1CC1" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C8H8ClN3O2.K/c9-4-5(8(13)14)11-7(3-1-2-3)12-6(4)10;/h3H,1-2H2,(H,13,14)(H2,10,11,12);/q;+1/p-1" RELATED InChI [ChEBI:] synonym: "InChIKey=BYXPJQZAPGGUGH-UHFFFAOYSA-M" RELATED InChIKey [ChEBI:] xref: ChemIDplus:858956-35-1 "CAS Registry Number" xref: Reaxys:11429248 "Reaxys Registry Number" is_a: CHEBI:26218 relationship: has_part CHEBI:62954 relationship: has_role CHEBI:24527 [Term] id: CHEBI:63018 name: potassium L-tartrate def: "The potassium salt of L-tartaric acid." [] synonym: "dipotassium tartrate" RELATED [SUBMITTER:] synonym: "(2R,3R)-2,3-dihydroxybutanedioic acid, dipotassium salt" RELATED [ChEBI:] synonym: "(2R,3R)-2,3-dihydroxybutanedioic acid, potassium salt" RELATED [ChEBI:] synonym: "Potassium tartrate" RELATED [ChemIDplus:] synonym: "L-(+)-tartaric acid potassium salt" RELATED [ChemIDplus:] synonym: "L-(+)-tartaric acid dipotassium salt" RELATED [ChemIDplus:] synonym: "argol" RELATED [ChEBI:] synonym: "cream of tartar" RELATED [SUBMITTER:] synonym: "dipotassium (2R,3R)-2,3-dihydroxybutanedioate" EXACT IUPAC_NAME [IUPAC:] synonym: "C4H4K2O6" RELATED FORMULA [ChEBI:] synonym: "[K+].[K+].O[C@H]([C@@H](O)C([O-])=O)C([O-])=O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C4H6O6.2K/c5-1(3(7)8)2(6)4(9)10;;/h1-2,5-6H,(H,7,8)(H,9,10);;/q;2*+1/p-2/t1-,2-;;/m1../s1" RELATED InChI [ChEBI:] synonym: "InChIKey=AVTYONGGKAJVTE-OLXYHTOASA-L" RELATED InChIKey [ChEBI:] xref: ChemIDplus:921-53-9 "CAS Registry Number" xref: Reaxys:6453065 "Reaxys Registry Number" xref: Wikipedia:Potassium_tartrate "Wikipedia" is_a: CHEBI:26218 relationship: has_part CHEBI:30924 [Term] id: CHEBI:63036 name: potassium dihydrogen phosphate def: "A potassium salt in which dihydrogen phosphate(1-) is the counterion." [] synonym: "Monopotassium monophosphate" RELATED [ChemIDplus:] synonym: "Monopotassium orthophosphate" RELATED [ChemIDplus:] synonym: "Phosphoric acid, monopotassium salt" RELATED [ChemIDplus:] synonym: "Sorensen's potassium phosphate" RELATED [ChemIDplus:] synonym: "Potassium phosphate monobasic" RELATED [SUBMITTER:] synonym: "Monopotassium dihydrogen phosphate" RELATED [ChemIDplus:] synonym: "MKP" RELATED [ChEBI:] synonym: "Phosphoric acid, potassium salt (1:1)" RELATED [ChemIDplus:] synonym: "Monopotassium phosphate" RELATED [ChemIDplus:] synonym: "Potassium phosphate" RELATED [ChemIDplus:] synonym: "Potassium dihydrogen orthophosphate" RELATED [ChemIDplus:] synonym: "Potassium acid phosphate" RELATED [ChemIDplus:] synonym: "Orthophosphoric acid, monopotassium salt" RELATED [ChemIDplus:] synonym: "potassium dihydrogen phosphate" EXACT IUPAC_NAME [IUPAC:] synonym: "Potassium dihydrogen phosphate" EXACT [ChemIDplus:] synonym: "H2KO4P" RELATED FORMULA [ChEBI:] synonym: "[K+].OP(O)([O-])=O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/K.H3O4P/c;1-5(2,3)4/h;(H3,1,2,3,4)/q+1;/p-1" RELATED InChI [ChEBI:] synonym: "InChIKey=GNSKLFRGEWLPPA-UHFFFAOYSA-M" RELATED InChIKey [ChEBI:] xref: ChemIDplus:7778-77-0 "CAS Registry Number" xref: CiteXplore:21931886 "PubMed citation" xref: Reaxys:15935277 "Reaxys Registry Number" xref: Wikipedia:Monopotassium_phosphate "Wikipedia" xref: CiteXplore:21130014 "PubMed citation" is_a: CHEBI:26218 is_a: CHEBI:24838 [Term] id: CHEBI:63043 name: potassium nitrate def: "The inorganic nitrate salt of potassium." [] synonym: "Nitre" RELATED [ChemIDplus:] synonym: "Niter" RELATED [ChemIDplus:] synonym: "saltpetre" RELATED [SUBMITTER:] synonym: "Saltpeter" RELATED [ChemIDplus:] synonym: "potassium nitrate" EXACT IUPAC_NAME [IUPAC:] synonym: "Kaliumnitrat" RELATED [ChemIDplus:] synonym: "Salt peter" RELATED [ChemIDplus:] synonym: "Nitric acid, potassium salt" RELATED [ChemIDplus:] synonym: "Nitrate of potash" RELATED [ChemIDplus:] synonym: "KNO3" RELATED FORMULA [ChEBI:] synonym: "[K+].[O-][N+]([O-])=O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/K.NO3/c;2-1(3)4/q+1;-1" RELATED InChI [ChEBI:] synonym: "InChIKey=FGIUAXJPYTZDNR-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: CiteXplore:21770249 "PubMed citation" xref: CiteXplore:20062955 "PubMed citation" xref: ChemIDplus:7757-79-1 "CAS Registry Number" xref: CiteXplore:21905227 "PubMed citation" xref: CiteXplore:21566718 "PubMed citation" xref: Wikipedia:Potassium_nitrate "Wikipedia" xref: SUBMITTER:D02051 "KEGG DRUG" xref: Reaxys:16014598 "Reaxys Registry Number" is_a: CHEBI:26218 is_a: CHEBI:51084 relationship: has_role CHEBI:33287 [Term] id: CHEBI:63316 name: potassium formate def: "The potassium salt of formic acid." [] synonym: "Formic acid potassium salt" RELATED [SUBMITTER:] synonym: "potassium formate" EXACT IUPAC_NAME [IUPAC:] synonym: "HCO2K" RELATED [ChEBI:] synonym: "potassium formiate" RELATED [ChEBI:] synonym: "HCOOK" RELATED [ChEBI:] synonym: "Formic acid, K salt" RELATED [ChemIDplus:] synonym: "CHKO2" RELATED FORMULA [ChEBI:] synonym: "[K+].[H]C([O-])=O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/CH2O2.K/c2-1-3;/h1H,(H,2,3);/q;+1/p-1" RELATED InChI [ChEBI:] synonym: "InChIKey=WFIZEGIEIOHZCP-UHFFFAOYSA-M" RELATED InChIKey [ChEBI:] xref: ChemIDplus:590-29-4 "CAS Registry Number" xref: CiteXplore:19091320 "PubMed citation" xref: Reaxys:3623272 "Reaxys Registry Number" xref: Wikipedia:Potassium_formate "Wikipedia" xref: CiteXplore:19775157 "PubMed citation" xref: CiteXplore:18412389 "PubMed citation" xref: Patent:CN101589014 "Patent" xref: Beilstein:3623272 "Beilstein Registry Number" xref: Patent:US2010087678 "Patent" is_a: CHEBI:26218 relationship: has_role CHEBI:35225 relationship: has_functional_parent CHEBI:30751 is_a: CHEBI:64708 [Term] id: CHEBI:64733 name: potassium citrate (anhydrous) def: "The anhydrous form of the tripotassium salt of citric acid." [] synonym: "tripotassium cirtate" RELATED [SUBMITTER:] synonym: "potassium citrate anhydrous" RELATED [ChemIDplus:] synonym: "potassium citrate (anh.)" RELATED [ChEBI:] synonym: "tripotassium citrate (anh.)" RELATED [ChEBI:] synonym: "anhydrous tripotassium citrate" RELATED [ChEBI:] synonym: "citric acid tripotassium salt (anh.)" RELATED [ChEBI:] synonym: "anhydrous potassium citrate" RELATED [ChEBI:] synonym: "tripotassium citrate (anhydrous)" RELATED [ChEBI:] synonym: "citric acid tripotassium salt (anhydrous)" RELATED [ChEBI:] synonym: "tripotassium 2-hydroxypropane-1,2,3-tricarboxylate" EXACT IUPAC_NAME [IUPAC:] synonym: "potassium citrate" RELATED [SUBMITTER:] synonym: "C6H5K3O7" RELATED FORMULA [ChEBI:] synonym: "[K+].[K+].[K+].OC(CC([O-])=O)(CC([O-])=O)C([O-])=O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C6H8O7.3K/c7-3(8)1-6(13,5(11)12)2-4(9)10;;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;/q;3*+1/p-3" RELATED InChI [ChEBI:] synonym: "InChIKey=QEEAPRPFLLJWCF-UHFFFAOYSA-K" RELATED InChIKey [ChEBI:] xref: ChemIDplus:866-84-2 "CAS Registry Number" xref: Reaxys:3774367 "Reaxys Registry Number" is_a: CHEBI:26218 relationship: has_part CHEBI:16947 relationship: has_role CHEBI:35498 [Term] id: CHEBI:64746 name: potassium citrate monohydrate def: "A hydrate that is the monohydrate form of potassium citrate." [] synonym: "Urocit-K" RELATED BRAND_NAME [KEGG DRUG:] synonym: "tripotassium 2-hydroxypropane-1,2,3-tricarboxylate--water (1/1)" EXACT IUPAC_NAME [IUPAC:] synonym: "potassium citrate" RELATED [ChemIDplus:] synonym: "potassium citrate.H2O" RELATED [ChEBI:] synonym: "tripotassium citrate monohydrate" RELATED [ChEBI:] synonym: "C6H7K3O8" RELATED FORMULA [ChEBI:] synonym: "O.[K+].[K+].[K+].OC(CC([O-])=O)(CC([O-])=O)C([O-])=O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/C6H8O7.3K.H2O/c7-3(8)1-6(13,5(11)12)2-4(9)10;;;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;;1H2/q;3*+1;/p-3" RELATED InChI [ChEBI:] synonym: "InChIKey=PJAHUDTUZRZBKM-UHFFFAOYSA-K" RELATED InChIKey [ChEBI:] xref: ChemIDplus:6100-05-6 "CAS Registry Number" xref: KEGG DRUG:D05578 "KEGG DRUG" xref: KEGG DRUG:6100-05-6 "CAS Registry Number" xref: Reaxys:3924344 "Reaxys Registry Number" is_a: CHEBI:35505 relationship: has_part CHEBI:64733 relationship: has_role CHEBI:35498 [Term] id: CHEBI:49847 name: rubidium(1+) alt_id: CHEBI:49846 alt_id: CHEBI:33495 def: "A rubidium molecular entity that has formula Rb." [] synonym: "Rb(+)" RELATED [UniProt:] synonym: "RUBIDIUM ION" RELATED [PDBeChem:] synonym: "rubidium(I) cation" EXACT IUPAC_NAME [IUPAC:] synonym: "rubidium(1+) ion" EXACT IUPAC_NAME [IUPAC:] synonym: "rubidium cation" EXACT IUPAC_NAME [IUPAC:] synonym: "Rb(+)" RELATED [IUPAC:] synonym: "rubidium(1+)" EXACT IUPAC_NAME [IUPAC:] synonym: "Rb" RELATED FORMULA [ChEBI:] synonym: "[Rb+]" RELATED SMILES [ChEBI:] synonym: "InChI=1S/Rb/q+1" RELATED InChI [ChEBI:] synonym: "InChIKey=NCCSSGKUIKYAJD-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: PDBeChem:RB "PDBeChem" xref: Gmelin:15208 "Gmelin Registry Number" xref: ChemIDplus:22537-38-8 "CAS Registry Number" xref: NIST Chemistry WebBook:22537-38-8 "CAS Registry Number" is_a: CHEBI:60242 is_a: CHEBI:25414 is_a: CHEBI:33504 is_a: CHEBI:37126 [Term] id: CHEBI:49547 name: caesium(1+) alt_id: CHEBI:33126 alt_id: CHEBI:49546 def: "A caesium ion that has formula Cs." [] synonym: "Cs(+)" RELATED [UniProt:] synonym: "cesium(1+)" RELATED [ChEBI:] synonym: "Cs(+)" RELATED [IUPAC:] synonym: "caesium(1+)" EXACT IUPAC_NAME [IUPAC:] synonym: "caesium" RELATED [IUPAC:] synonym: "cesium cation" RELATED [NIST Chemistry WebBook:] synonym: "CESIUM ION" RELATED [PDBeChem:] synonym: "Cs" RELATED FORMULA [ChEBI:] synonym: "[Cs+]" RELATED SMILES [ChEBI:] synonym: "InChI=1S/Cs/q+1" RELATED InChI [ChEBI:] synonym: "InChIKey=NCMHKCKGHRPLCM-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: ChemIDplus:18459-37-5 "CAS Registry Number" xref: NIST Chemistry WebBook:18459-37-5 "CAS Registry Number" xref: Gmelin:15188 "Gmelin Registry Number" xref: PDBeChem:CS "PDBeChem" is_a: CHEBI:60270 is_a: CHEBI:60242 is_a: CHEBI:25414 is_a: CHEBI:33504 [Term] id: CHEBI:33502 name: francium(1+) def: "A francium molecular entity that has formula Fr." [] synonym: "francium cation" EXACT IUPAC_NAME [IUPAC:] synonym: "francium(I) cation" EXACT IUPAC_NAME [IUPAC:] synonym: "francium(1+)" EXACT IUPAC_NAME [IUPAC:] synonym: "Fr(+)" RELATED [IUPAC:] synonym: "francium(1+) ion" EXACT IUPAC_NAME [IUPAC:] synonym: "Fr" RELATED FORMULA [ChEBI:] synonym: "[Fr+]" RELATED SMILES [ChEBI:] synonym: "InChI=1S/Fr/q+1" RELATED InChI [ChEBI:] synonym: "InChIKey=OCABHVDKBUNYTK-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: Gmelin:348770 "Gmelin Registry Number" is_a: CHEBI:33504 is_a: CHEBI:25414 is_a: CHEBI:37129 [Term] id: CHEBI:33513 name: alkaline earth cation synonym: "alkaline earth metal cation" RELATED [ChEBI:] synonym: "alkaline-earth metal cations" RELATED [ChEBI:] synonym: "alkaline earth cations" RELATED [ChEBI:] is_a: CHEBI:25213 is_a: CHEBI:33299 [Term] id: CHEBI:39123 name: calcium cation synonym: "calcium cations" RELATED [ChEBI:] synonym: "calcium cation" EXACT [ChEBI:] synonym: "Ca" RELATED FORMULA [ChEBI:] is_a: CHEBI:33513 is_a: CHEBI:39124 [Term] id: CHEBI:39099 name: calcium(1+) def: "A calcium cation that has formula Ca." [] synonym: "calcium(1+) ion" EXACT IUPAC_NAME [IUPAC:] synonym: "calcium monocation" RELATED [ChEBI:] synonym: "calcium cation" RELATED [NIST Chemistry WebBook:] synonym: "calcium(1+)" EXACT IUPAC_NAME [IUPAC:] synonym: "Ca(+)" RELATED [IUPAC:] synonym: "calcium ion (1+)" RELATED [NIST Chemistry WebBook:] synonym: "calcium(I) cation" EXACT IUPAC_NAME [IUPAC:] synonym: "Ca" RELATED FORMULA [ChEBI:] synonym: "[Ca+]" RELATED SMILES [ChEBI:] synonym: "InChI=1S/Ca/q+1" RELATED InChI [ChEBI:] synonym: "InChIKey=JDMNMMCDWTVNSP-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: NIST Chemistry WebBook:14102-48-8 "CAS Registry Number" xref: Gmelin:75319 "Gmelin Registry Number" is_a: CHEBI:25414 is_a: CHEBI:39123 [Term] id: CHEBI:39125 name: barium cation synonym: "barium cations" RELATED [ChEBI:] synonym: "barium cation" EXACT [ChEBI:] synonym: "Ba" RELATED FORMULA [ChEBI:] is_a: CHEBI:33513 is_a: CHEBI:39126 [Term] id: CHEBI:37137 name: barium(1+) def: "A barium cation that has formula Ba." [] synonym: "barium(I) cation" EXACT IUPAC_NAME [IUPAC:] synonym: "barium(1+) ion" EXACT IUPAC_NAME [IUPAC:] synonym: "Ba(+)" RELATED [IUPAC:] synonym: "barium cation" RELATED [NIST Chemistry WebBook:] synonym: "barium(1+)" EXACT IUPAC_NAME [IUPAC:] synonym: "Ba" RELATED FORMULA [ChEBI:] synonym: "[Ba+]" RELATED SMILES [ChEBI:] synonym: "InChI=1S/Ba/q+1" RELATED InChI [ChEBI:] synonym: "InChIKey=NZMBEOVSCFWSKC-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: Gmelin:15181 "Gmelin Registry Number" xref: NIST Chemistry WebBook:16541-35-8 "CAS Registry Number" is_a: CHEBI:25414 is_a: CHEBI:39125 [Term] id: CHEBI:39127 name: magnesium cation is_a: CHEBI:33513 is_a: CHEBI:39128 [Term] id: CHEBI:33974 name: magnesium(1+) def: "A magnesium cation that has formula Mg." [] synonym: "magnesium(1+)" EXACT IUPAC_NAME [IUPAC:] synonym: "magnesium(I) cation" EXACT IUPAC_NAME [IUPAC:] synonym: "magnesium cation" RELATED [NIST Chemistry WebBook:] synonym: "magnesium(1+) ion" EXACT IUPAC_NAME [IUPAC:] synonym: "Mg" RELATED FORMULA [ChEBI:] synonym: "[Mg+]" RELATED SMILES [ChEBI:] synonym: "InChI=1S/Mg/q+1" RELATED InChI [ChEBI:] synonym: "InChIKey=XYAGEBWLYIDCRX-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: NIST Chemistry WebBook:14581-92-1 "CAS Registry Number" is_a: CHEBI:39127 is_a: CHEBI:25414 [Term] id: CHEBI:39129 name: strontium cation synonym: "strontium cations" RELATED [ChEBI:] synonym: "strontium cation" EXACT [ChEBI:] synonym: "Sr cation" RELATED [UniProt:] synonym: "Sr" RELATED FORMULA [ChEBI:] is_a: CHEBI:33513 is_a: CHEBI:39130 [Term] id: CHEBI:37132 name: strontium(1+) def: "A strontium cation that has formula Sr." [] synonym: "strontium cation" RELATED [NIST Chemistry WebBook:] synonym: "strontium(1+)" EXACT IUPAC_NAME [IUPAC:] synonym: "strontium(I) cation" EXACT IUPAC_NAME [IUPAC:] synonym: "strontium(1+) ion" EXACT IUPAC_NAME [IUPAC:] synonym: "Sr(+)" RELATED [IUPAC:] synonym: "Sr" RELATED FORMULA [ChEBI:] synonym: "[Sr+]" RELATED SMILES [ChEBI:] synonym: "InChI=1S/Sr/q+1" RELATED InChI [ChEBI:] synonym: "InChIKey=QDEYBKUQZKVQLI-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: Gmelin:192773 "Gmelin Registry Number" xref: NIST Chemistry WebBook:14701-18-9 "CAS Registry Number" is_a: CHEBI:25414 is_a: CHEBI:39129 [Term] id: CHEBI:39132 name: beryllium cation synonym: "beryllium cations" RELATED [ChEBI:] synonym: "Be" RELATED FORMULA [ChEBI:] is_a: CHEBI:33513 is_a: CHEBI:39133 [Term] id: CHEBI:30503 name: beryllium(1+) def: "A beryllium cation that has formula Be." [] synonym: "beryllium(1+) ion" EXACT IUPAC_NAME [IUPAC:] synonym: "beryllium(I) cation" EXACT IUPAC_NAME [IUPAC:] synonym: "beryllium(1+)" EXACT IUPAC_NAME [IUPAC:] synonym: "Be(+)" RELATED [IUPAC:] synonym: "Be" RELATED FORMULA [ChEBI:] synonym: "[Be+]" RELATED SMILES [ChEBI:] synonym: "InChI=1S/Be/q+1" RELATED InChI [ChEBI:] synonym: "InChIKey=FSZJGTOCGOQRRE-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: NIST Chemistry WebBook:14701-08-7 "CAS Registry Number" is_a: CHEBI:25414 is_a: CHEBI:39132 [Term] id: CHEBI:33515 name: transition element cation synonym: "transition element cations" RELATED [ChEBI:] synonym: "transition metal cation" RELATED [ChEBI:] is_a: CHEBI:25213 [Term] id: CHEBI:24875 name: iron cation synonym: "iron cation" EXACT IUPAC_NAME [IUPAC:] synonym: "iron cations" RELATED [ChEBI:] synonym: "Fe cation" RELATED [UniProt:] synonym: "Fe" RELATED FORMULA [ChEBI:] is_a: CHEBI:33515 [Term] id: CHEBI:29034 name: iron(3+) alt_id: CHEBI:13320 alt_id: CHEBI:24877 alt_id: CHEBI:49595 alt_id: CHEBI:21130 alt_id: CHEBI:34755 def: "An iron cation that has formula Fe." [] synonym: "iron(3+)" EXACT IUPAC_NAME [IUPAC:] synonym: "iron, ion (Fe(3+))" RELATED [ChemIDplus:] synonym: "ferric iron" RELATED [ChEBI:] synonym: "Fe(3+)" RELATED [UniProt:] synonym: "iron(III) cation" EXACT IUPAC_NAME [IUPAC:] synonym: "iron(3+) ion" EXACT IUPAC_NAME [IUPAC:] synonym: "Fe(3+)" RELATED [IUPAC:] synonym: "FE (III) ION" RELATED [PDBeChem:] synonym: "Ferric ion" RELATED [KEGG COMPOUND:] synonym: "Fe3+" RELATED [KEGG COMPOUND:] synonym: "Fe(III)" RELATED [KEGG COMPOUND:] synonym: "Iron(3+)" EXACT [KEGG COMPOUND:] synonym: "Fe" RELATED FORMULA [KEGG COMPOUND:] synonym: "[Fe+3]" RELATED SMILES [ChEBI:] synonym: "InChI=1S/Fe/q+3" RELATED InChI [ChEBI:] synonym: "InChIKey=VTLYFUHAOXGGBS-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: ChemIDplus:20074-52-6 "CAS Registry Number" xref: Gmelin:15986 "Gmelin Registry Number" xref: PDBeChem:FE "PDBeChem" xref: KEGG COMPOUND:C14819 "KEGG COMPOUND" is_a: CHEBI:24875 is_a: CHEBI:27153 [Term] id: CHEBI:53438 name: iron(3+) sulfate def: "A compound of iron and sulfate in which the ratio of iron(3+) to sulfate ions is 3:2." [] synonym: "Ferric sesquisulfate" RELATED [ChemIDplus:] synonym: "Iron sesquisulfate" RELATED [ChemIDplus:] synonym: "Diiron trisulfate" RELATED [ChemIDplus:] synonym: "Iron persulfate" RELATED [ChemIDplus:] synonym: "Iron(III) sulfate" RELATED [ChemIDplus:] synonym: "Diiron tris(sulphate)" RELATED [ChemIDplus:] synonym: "iron(3+) sulfate" EXACT IUPAC_NAME [IUPAC:] synonym: "iron(III) sulfate" EXACT IUPAC_NAME [IUPAC:] synonym: "Ferric persulfate" RELATED [ChemIDplus:] synonym: "Ferric sulfate" RELATED [ChemIDplus:] synonym: "Ferric tersulfate" RELATED [ChemIDplus:] synonym: "Iron tersulfate" RELATED [ChemIDplus:] synonym: "Fe2O12S3" RELATED FORMULA [ChEBI:] synonym: "[Fe+3].[Fe+3].[O-]S([O-])(=O)=O.[O-]S([O-])(=O)=O.[O-]S([O-])(=O)=O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/2Fe.3H2O4S/c;;3*1-5(2,3)4/h;;3*(H2,1,2,3,4)/q2*+3;;;/p-6" RELATED InChI [ChEBI:] synonym: "InChIKey=RUTXIHLAWFEWGM-UHFFFAOYSA-H" RELATED InChIKey [ChEBI:] xref: Gmelin:20284 "Gmelin Registry Number" xref: ChemIDplus:10028-22-5 "CAS Registry Number" xref: CiteXplore:7615984 "PubMed citation" is_a: CHEBI:51336 relationship: has_part CHEBI:29034 [Term] id: CHEBI:31604 name: ferric ammonium citrate def: "A mixture of indefinite composition that contains ferric and ammonium cations and citrate(3-) anions, ferric ammonium citrate may be obtained as red crystals or a brownish yellow powder or as green crystals or powder. It is added to foods as an acidity regulator and anticaking agent. It is also used as a positive oral contrast agent in magnetic resonance imaging, and was formerly administered orally as a source of iron for the treatment of iron-deficiency anaemia." [] synonym: "ammonium ferric citrate" RELATED [ChemIDplus:] synonym: "ammonium iron(III) citrate" RELATED [ChEBI:] synonym: "E381" RELATED [ChEBI:] xref: KEGG DRUG:1185-57-5 "CAS Registry Number" xref: Reaxys:14508930 "Reaxys Registry Number" xref: Wikipedia:Ammonium_ferric_citrate "Wikipedia" xref: KEGG DRUG:D01644 "KEGG DRUG" is_a: CHEBI:60004 relationship: has_part CHEBI:29034 relationship: has_part CHEBI:28938 relationship: has_part CHEBI:16947 relationship: has_role CHEBI:64049 relationship: has_role CHEBI:37335 [Term] id: CHEBI:33516 name: chromium cation synonym: "chromium cations" RELATED [ChEBI:] synonym: "chromium cation" EXACT IUPAC_NAME [IUPAC:] synonym: "Cr" RELATED FORMULA [ChEBI:] is_a: CHEBI:33515 is_a: CHEBI:61310 [Term] id: CHEBI:33009 name: chromium(4+) def: "A chromium cation that has formula Cr." [] synonym: "chromium(IV) cation" EXACT IUPAC_NAME [IUPAC:] synonym: "chromium(4+)" EXACT IUPAC_NAME [IUPAC:] synonym: "Cr(4+)" RELATED [IUPAC:] synonym: "chromium(4+) ion" EXACT IUPAC_NAME [IUPAC:] synonym: "Cr" RELATED FORMULA [ChEBI:] synonym: "[Cr+4]" RELATED SMILES [ChEBI:] synonym: "InChI=1S/Cr/q+4" RELATED InChI [ChEBI:] synonym: "InChIKey=UUMMHAPECIIHJR-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: Gmelin:86586 "Gmelin Registry Number" is_a: CHEBI:26937 is_a: CHEBI:33516 [Term] id: CHEBI:33008 name: chromium(5+) def: "A monoatomic pentacation that has formula Cr." [] synonym: "chromium(V) cation" EXACT IUPAC_NAME [IUPAC:] synonym: "chromium(5+)" EXACT IUPAC_NAME [IUPAC:] synonym: "chromium(5+) ion" EXACT IUPAC_NAME [IUPAC:] synonym: "Cr(5+)" RELATED [IUPAC:] synonym: "Cr" RELATED FORMULA [ChEBI:] synonym: "[Cr+5]" RELATED SMILES [ChEBI:] synonym: "InChI=1S/Cr/q+5" RELATED InChI [ChEBI:] synonym: "InChIKey=RKCWRYBOSIJRNH-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: ChemIDplus:14280-17-2 "CAS Registry Number" xref: Gmelin:62243 "Gmelin Registry Number" is_a: CHEBI:33422 is_a: CHEBI:33516 [Term] id: CHEBI:33007 name: chromium(6+) def: "A monoatomic hexacation that has formula Cr." [] synonym: "chromium hexavalent ion" RELATED [ChemIDplus:] synonym: "chromium(6+)" EXACT IUPAC_NAME [IUPAC:] synonym: "chromium(6+) ion" EXACT IUPAC_NAME [IUPAC:] synonym: "chromium(VI) cation" EXACT IUPAC_NAME [IUPAC:] synonym: "chromium(VI)" RELATED [ChemIDplus:] synonym: "Cr(6+)" RELATED [IUPAC:] synonym: "Cr" RELATED FORMULA [ChEBI:] synonym: "[Cr+6]" RELATED SMILES [ChEBI:] synonym: "InChI=1S/Cr/q+6" RELATED InChI [ChEBI:] synonym: "InChIKey=JOPOVCBBYLSVDA-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: Gmelin:54876 "Gmelin Registry Number" xref: ChemIDplus:18540-29-9 "CAS Registry Number" is_a: CHEBI:33423 is_a: CHEBI:33516 [Term] id: CHEBI:49544 name: chromium(3+) alt_id: CHEBI:49543 alt_id: CHEBI:23236 def: "A chromium cation that has formula Cr." [] synonym: "CHROMIUM ION" RELATED [PDBeChem:] synonym: "chromium(III) cation" EXACT IUPAC_NAME [IUPAC:] synonym: "chromium(3+)" EXACT IUPAC_NAME [IUPAC:] synonym: "chromium(3+) ion" EXACT IUPAC_NAME [IUPAC:] synonym: "Cr(3+)" RELATED [IUPAC:] synonym: "chromic ion" RELATED [ChemIDplus:] synonym: "chromium(III)" RELATED [ChemIDplus:] synonym: "Cr" RELATED FORMULA [ChEBI:] synonym: "[Cr+3]" RELATED SMILES [ChEBI:] synonym: "InChI=1S/Cr/q+3" RELATED InChI [ChEBI:] synonym: "InChIKey=BFGKITSFLPAWGI-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: PDBeChem:CR "PDBeChem" xref: ChEBI:c0804 "UM-BBD compID" xref: Gmelin:15996 "Gmelin Registry Number" xref: UM-BBD:16065-83-1 "CAS Registry Number" xref: ChemIDplus:16065-83-1 "CAS Registry Number" is_a: CHEBI:27153 is_a: CHEBI:33516 [Term] id: CHEBI:53471 name: chromium(III) sulfate def: "A compound of chromium and sulfate in which the ratio of chromium (in the +3 oxidation state) to sulfate is 2:3" [] synonym: "Dichromium sulphate" RELATED [ChemIDplus:] synonym: "Chromic sulfate" RELATED [ChemIDplus:] synonym: "Chromium sulphate" RELATED [ChemIDplus:] synonym: "Dichromium sulfate" RELATED [ChemIDplus:] synonym: "Dichromium trisulphate" RELATED [ChemIDplus:] synonym: "Chromic sulphate" RELATED [ChemIDplus:] synonym: "Chromium sulfate" RELATED [ChemIDplus:] synonym: "Dichromium trisulfate" RELATED [ChemIDplus:] synonym: "Chromium(III) sulfate" EXACT [ChemIDplus:] synonym: "Cr2O12S3" RELATED FORMULA [ChEBI:] synonym: "[Cr+3].[Cr+3].[O-]S([O-])(=O)=O.[O-]S([O-])(=O)=O.[O-]S([O-])(=O)=O" RELATED SMILES [ChEBI:] synonym: "InChI=1S/2Cr.3H2O4S/c;;3*1-5(2,3)4/h;;3*(H2,1,2,3,4)/q2*+3;;;/p-6" RELATED InChI [ChEBI:] synonym: "InChIKey=GRWVQDDAKZFPFI-UHFFFAOYSA-H" RELATED InChIKey [ChEBI:] xref: ChemIDplus:10101-53-8 "CAS Registry Number" xref: CiteXplore:2415590 "PubMed citation" xref: Gmelin:1963325 "Gmelin Registry Number" xref: Gmelin:44033 "Gmelin Registry Number" xref: NIST Chemistry WebBook:10101-53-8 "CAS Registry Number" is_a: CHEBI:51336 relationship: has_part CHEBI:49544 [Term] id: CHEBI:23336 name: cobalt cation synonym: "cobalt cations" RELATED [ChEBI:] synonym: "cobalt cation" EXACT IUPAC_NAME [IUPAC:] synonym: "cobalt cation" EXACT [UniProt:] synonym: "Co" RELATED FORMULA [ChEBI:] is_a: CHEBI:33515 [Term] id: CHEBI:49415 name: cobalt(3+) alt_id: CHEBI:49413 alt_id: CHEBI:23338 def: "A cobalt cation that has formula Co." [] synonym: "Co(3+)" RELATED [UniProt:] synonym: "COBALT (III) ION" RELATED [PDBeChem:] synonym: "cobaltic ion" RELATED [ChEBI:] synonym: "Co3+" RELATED [ChEBI:] synonym: "cobalt(3+) ion" EXACT IUPAC_NAME [IUPAC:] synonym: "cobalt(3+) ion" RELATED [ChEBI:] synonym: "cobalt(III) cation" EXACT IUPAC_NAME [IUPAC:] synonym: "cobalt(III) cation" RELATED [ChEBI:] synonym: "cobalt(3+)" EXACT IUPAC_NAME [IUPAC:] synonym: "cobalt, ion (Co3+)" RELATED [ChemIDplus:] synonym: "Co" RELATED FORMULA [ChEBI:] synonym: "[Co+3]" RELATED SMILES [ChEBI:] synonym: "InChI=1S/Co/q+3" RELATED InChI [ChEBI:] synonym: "InChIKey=JAWGVVJVYSANRY-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: PDBeChem:3CO "PDBeChem" xref: Gmelin:15995 "Gmelin Registry Number" xref: ChemIDplus:22541-63-5 "CAS Registry Number" is_a: CHEBI:23336 is_a: CHEBI:27153 [Term] id: CHEBI:23378 name: copper cation synonym: "copper cations" RELATED [ChEBI:] synonym: "copper cation" EXACT IUPAC_NAME [IUPAC:] synonym: "Cu cation" RELATED [UniProt:] synonym: "Cu" RELATED FORMULA [ChEBI:] is_a: CHEBI:33515 is_a: CHEBI:37404 [Term] id: CHEBI:49552 name: copper(1+) alt_id: CHEBI:23379 alt_id: CHEBI:49551 def: "A copper cation that has formula Cu." [] synonym: "Cu(+)" RELATED [UniProt:] synonym: "cuprous ion" RELATED [ChemIDplus:] synonym: "Cu(+)" RELATED [IUPAC:] synonym: "copper(1+)" EXACT IUPAC_NAME [IUPAC:] synonym: "copper cation" RELATED [NIST Chemistry WebBook:] synonym: "copper(1+) ion" EXACT IUPAC_NAME [IUPAC:] synonym: "copper(1+) ion" RELATED [ChEBI:] synonym: "copper(I) cation" RELATED [ChEBI:] synonym: "copper(I) cation" EXACT IUPAC_NAME [IUPAC:] synonym: "COPPER (I) ION" RELATED [PDBeChem:] synonym: "Cu" RELATED FORMULA [ChEBI:] synonym: "[Cu+]" RELATED SMILES [ChEBI:] synonym: "InChI=1S/Cu/q+1" RELATED InChI [ChEBI:] synonym: "InChIKey=VMQMZMRVKUZKQL-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: NIST Chemistry WebBook:17493-86-6 "CAS Registry Number" xref: Gmelin:15189 "Gmelin Registry Number" xref: ChemIDplus:17493-86-6 "CAS Registry Number" xref: PDBeChem:CU1 "PDBeChem" is_a: CHEBI:23378 is_a: CHEBI:25414 [Term] id: CHEBI:29037 name: copper(3+) alt_id: CHEBI:20883 alt_id: CHEBI:23381 def: "A copper cation that has formula Cu." [] synonym: "copper(3+)" EXACT IUPAC_NAME [IUPAC:] synonym: "Cu(III)" RELATED [ChEBI:] synonym: "Cu(3+)" EXACT IUPAC_NAME [IUPAC:] synonym: "copper(3+) ion" EXACT IUPAC_NAME [IUPAC:] synonym: "copper(III) cation" EXACT IUPAC_NAME [IUPAC:] synonym: "Cu3+" RELATED [ChEBI:] synonym: "copper(III) cation" RELATED [ChEBI:] synonym: "Cu" RELATED FORMULA [ChEBI:] synonym: "[Cu+3]" RELATED SMILES [ChEBI:] synonym: "InChI=1S/Cu/q+3" RELATED InChI [ChEBI:] synonym: "InChIKey=XYNZKHQSHVOGHB-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] is_a: CHEBI:23378 is_a: CHEBI:27153 [Term] id: CHEBI:25516 name: nickel cation synonym: "Ni cation" RELATED [UniProt:] synonym: "nickel cations" RELATED [ChEBI:] synonym: "nickel cation" EXACT IUPAC_NAME [IUPAC:] synonym: "Ni" RELATED FORMULA [ChEBI:] is_a: CHEBI:33515 is_a: CHEBI:60248 [Term] id: CHEBI:49423 name: nickel(3+) alt_id: CHEBI:49421 alt_id: CHEBI:25518 def: "An ion of nickel carrying a triple positive charge." [] synonym: "NICKEL (III) ION" RELATED [PDBeChem:] synonym: "Ni(3+)" RELATED [IUPAC:] synonym: "Ni3+" RELATED [ChEBI:] synonym: "nickel(3+) ion" EXACT IUPAC_NAME [IUPAC:] synonym: "Nickel, ion (Ni3+)" RELATED [ChemIDplus:] synonym: "nickelic ion" RELATED [ChEBI:] synonym: "nickel(III) cation" EXACT IUPAC_NAME [IUPAC:] synonym: "nickel(3+)" EXACT IUPAC_NAME [IUPAC:] synonym: "Ni" RELATED FORMULA [ChEBI:] synonym: "[Ni+3]" RELATED SMILES [ChEBI:] synonym: "InChI=1S/Ni/q+3" RELATED InChI [ChEBI:] synonym: "InChIKey=JDRCAGKFDGHRNQ-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: CiteXplore:20456924 "PubMed citation" xref: PDBeChem:3NI "PDBeChem" xref: Gmelin:61153 "Gmelin Registry Number" xref: ChemIDplus:22541-64-6 "CAS Registry Number" is_a: CHEBI:25516 is_a: CHEBI:27153 [Term] id: CHEBI:30399 name: nickel(1+) def: "A nickel cation that has formula Ni." [] synonym: "Nickel, ion (Ni1+)" RELATED [ChemIDplus:] synonym: "nickel(1+)" EXACT IUPAC_NAME [IUPAC:] synonym: "Ni(+)" RELATED [IUPAC:] synonym: "nickel(1+) ion" EXACT IUPAC_NAME [IUPAC:] synonym: "nickel(I) cation" EXACT IUPAC_NAME [IUPAC:] synonym: "Nickel cation" RELATED [NIST Chemistry WebBook:] synonym: "Ni+" RELATED [NIST Chemistry WebBook:] synonym: "Ni" RELATED FORMULA [ChEBI:] synonym: "[Ni+]" RELATED SMILES [ChEBI:] synonym: "InChI=1S/Ni/q+1" RELATED InChI [ChEBI:] synonym: "InChIKey=YWMAPNNZOCSAPF-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: NIST Chemistry WebBook:14903-34-5 "CAS Registry Number" xref: ChemIDplus:14903-34-5 "CAS Registry Number" xref: Gmelin:15198 "Gmelin Registry Number" is_a: CHEBI:25414 is_a: CHEBI:25516 [Term] id: CHEBI:25155 name: manganese cation synonym: "manganese cations" RELATED [ChEBI:] synonym: "manganese cation" EXACT IUPAC_NAME [IUPAC:] synonym: "Mn" RELATED FORMULA [ChEBI:] is_a: CHEBI:35115 is_a: CHEBI:33515 [Term] id: CHEBI:25158 name: manganese(4+) def: "A manganese cation that has formula Mn." [] synonym: "manganese(IV) cation" EXACT IUPAC_NAME [IUPAC:] synonym: "Mn(4+)" RELATED [IUPAC:] synonym: "manganese(4+) ion" EXACT IUPAC_NAME [IUPAC:] synonym: "manganese(4+)" EXACT IUPAC_NAME [IUPAC:] synonym: "Mn" RELATED FORMULA [ChEBI:] synonym: "[Mn+4]" RELATED SMILES [ChEBI:] synonym: "InChI=1S/Mn/q+4" RELATED InChI [ChEBI:] synonym: "InChIKey=YZTQKMVBEGUONQ-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: Gmelin:105683 "Gmelin Registry Number" is_a: CHEBI:25155 is_a: CHEBI:26937 [Term] id: CHEBI:29041 name: manganese(3+) alt_id: CHEBI:25157 alt_id: CHEBI:21436 alt_id: CHEBI:49743 alt_id: CHEBI:13383 def: "A manganese cation that has formula Mn." [] synonym: "manganese(3+)" EXACT IUPAC_NAME [IUPAC:] synonym: "manganese(3+), ion" RELATED [ChemIDplus:] synonym: "manganic ion" RELATED [ChEBI:] synonym: "manganese(III) cation" EXACT IUPAC_NAME [IUPAC:] synonym: "manganese(3+) ion" EXACT IUPAC_NAME [IUPAC:] synonym: "Mn(3+)" RELATED [IUPAC:] synonym: "MANGANESE (III) ION" RELATED [PDBeChem:] synonym: "Mn" RELATED FORMULA [ChEBI:] synonym: "[Mn+3]" RELATED SMILES [ChEBI:] synonym: "InChI=1S/Mn/q+3" RELATED InChI [ChEBI:] synonym: "InChIKey=MMIPFLVOWGHZQD-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: Gmelin:15999 "Gmelin Registry Number" xref: ChemIDplus:14546-48-6 "CAS Registry Number" xref: PDBeChem:MN3 "PDBeChem" is_a: CHEBI:27153 is_a: CHEBI:25155 [Term] id: CHEBI:35172 name: vanadium cation synonym: "vanadium cation" EXACT IUPAC_NAME [IUPAC:] synonym: "vanadium ion" RELATED [UniProt:] synonym: "vanadium cations" RELATED [ChEBI:] synonym: "V" RELATED FORMULA [ChEBI:] is_a: CHEBI:35171 is_a: CHEBI:33515 [Term] id: CHEBI:33005 name: vanadium(1+) def: "A vanadium cation that has formula V." [] synonym: "vanadium(1+) ion" EXACT IUPAC_NAME [IUPAC:] synonym: "vanadium cation" RELATED [NIST Chemistry WebBook:] synonym: "vanadium(1+), ion" RELATED [ChemIDplus:] synonym: "vanadium(1+)" EXACT IUPAC_NAME [IUPAC:] synonym: "vanadium(I) cation" EXACT IUPAC_NAME [IUPAC:] synonym: "V(+)" RELATED [IUPAC:] synonym: "V" RELATED FORMULA [ChEBI:] synonym: "[V+]" RELATED SMILES [ChEBI:] synonym: "InChI=1S/V/q+1" RELATED InChI [ChEBI:] synonym: "InChIKey=GNZKCLSXDUXHNG-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: ChemIDplus:14782-33-3 "CAS Registry Number" xref: NIST Chemistry WebBook:14782-33-3 "CAS Registry Number" xref: Gmelin:15209 "Gmelin Registry Number" is_a: CHEBI:25414 is_a: CHEBI:35172 [Term] id: CHEBI:49948 name: vanadium(3+) alt_id: CHEBI:49946 alt_id: CHEBI:33001 def: "A vanadium cation that has formula V." [] synonym: "VANADIUM ION" RELATED [PDBeChem:] synonym: "vanadium(III)" RELATED [ChemIDplus:] synonym: "vanadium(3+) ion" EXACT IUPAC_NAME [IUPAC:] synonym: "vanadium, ion(3+)" RELATED [ChemIDplus:] synonym: "vanadium(III) cation" EXACT IUPAC_NAME [IUPAC:] synonym: "V(3+)" RELATED [IUPAC:] synonym: "vanadium(3+)" EXACT IUPAC_NAME [IUPAC:] synonym: "V" RELATED FORMULA [ChEBI:] synonym: "[V+3]" RELATED SMILES [ChEBI:] synonym: "InChI=1S/V/q+3" RELATED InChI [ChEBI:] synonym: "InChIKey=KOKKJWHERHSKEB-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: PDBeChem:V "PDBeChem" xref: ChemIDplus:22541-77-1 "CAS Registry Number" xref: Gmelin:16007 "Gmelin Registry Number" is_a: CHEBI:27153 is_a: CHEBI:35172 [Term] id: CHEBI:33002 name: vanadium(4+) def: "A vanadium cation that has formula V." [] synonym: "V(4+)" RELATED [IUPAC:] synonym: "vanadium(IV) cation" EXACT IUPAC_NAME [IUPAC:] synonym: "vanadium, ion(4+)" RELATED [ChemIDplus:] synonym: "vanadium(4+) ion" EXACT IUPAC_NAME [IUPAC:] synonym: "vanadium(4+)" EXACT IUPAC_NAME [IUPAC:] synonym: "V" RELATED FORMULA [ChEBI:] synonym: "[V+4]" RELATED SMILES [ChEBI:] synonym: "InChI=1S/V/q+4" RELATED InChI [ChEBI:] synonym: "InChIKey=PSDQQCXQSWHCRN-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: Gmelin:124486 "Gmelin Registry Number" xref: ChemIDplus:22541-76-0 "CAS Registry Number" is_a: CHEBI:26937 is_a: CHEBI:35172 [Term] id: CHEBI:33003 name: vanadium(5+) def: "A monoatomic pentacation that has formula V." [] synonym: "vanadium, ion (V5+)" RELATED [ChemIDplus:] synonym: "vanadium(5+) ion" EXACT IUPAC_NAME [IUPAC:] synonym: "vanadium(5+)" EXACT IUPAC_NAME [IUPAC:] synonym: "V(5+)" RELATED [IUPAC:] synonym: "vanadium(V) cation" EXACT IUPAC_NAME [IUPAC:] synonym: "V" RELATED FORMULA [ChEBI:] synonym: "[V+5]" RELATED SMILES [ChEBI:] synonym: "InChI=1S/V/q+5" RELATED InChI [ChEBI:] synonym: "InChIKey=DIMMBYOINZRKMD-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: Gmelin:41781 "Gmelin Registry Number" xref: ChemIDplus:22537-31-1 "CAS Registry Number" is_a: CHEBI:33422 is_a: CHEBI:35172 [Term] id: CHEBI:60253 name: silver cation is_a: CHEBI:33515 is_a: CHEBI:60247 [Term] id: CHEBI:49468 name: silver(1+) alt_id: CHEBI:49467 alt_id: CHEBI:30051 def: "A silver cation that has formula Ag." [] synonym: "SILVER ION" RELATED [PDBeChem:] synonym: "silver(1+)" EXACT IUPAC_NAME [IUPAC:] synonym: "Ag(+)" RELATED [IUPAC:] synonym: "Silver ion (1+)" RELATED [NIST Chemistry WebBook:] synonym: "silver(I) cation" EXACT IUPAC_NAME [IUPAC:] synonym: "silver(1+) ion" EXACT IUPAC_NAME [IUPAC:] synonym: "Ag" RELATED FORMULA [ChEBI:] synonym: "[Ag+]" RELATED SMILES [ChEBI:] synonym: "InChI=1S/Ag/q+1" RELATED InChI [ChEBI:] synonym: "InChIKey=FOIXSVOLVBLSDH-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: PDBeChem:AG "PDBeChem" xref: ChemIDplus:14701-21-4 "CAS Registry Number" xref: Gmelin:15176 "Gmelin Registry Number" xref: NIST Chemistry WebBook:14701-21-4 "CAS Registry Number" is_a: CHEBI:60253 is_a: CHEBI:60242 is_a: CHEBI:25414 is_a: CHEBI:33966 [Term] id: CHEBI:25197 name: mercury cation synonym: "mercury cations" RELATED [ChEBI:] is_a: CHEBI:35113 is_a: CHEBI:33515 [Term] id: CHEBI:25198 name: dimercury(2+) def: "A mercury cation that has formula Hg2." [] synonym: "dimercury(2+)" EXACT IUPAC_NAME [IUPAC:] synonym: "dimercury(2+) ion" EXACT IUPAC_NAME [IUPAC:] synonym: "Hg2(2+)" RELATED [IUPAC:] synonym: "mercurous ion" RELATED [ChEBI:] synonym: "dimercury(I) cation" EXACT IUPAC_NAME [IUPAC:] synonym: "Hg2" RELATED FORMULA [ChEBI:] synonym: "[Hg+][Hg+]" RELATED SMILES [ChEBI:] synonym: "InChI=1S/2Hg/q2*+1" RELATED InChI [ChEBI:] synonym: "InChIKey=BGARROUSYWXSED-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: Gmelin:49273 "Gmelin Registry Number" is_a: CHEBI:25197 [Term] id: CHEBI:50236 name: trimercury(2+) def: "A mercury cation that has formula Hg3." [] synonym: "trimercury cation" RELATED [ChEBI:] synonym: "trimercury(2+) ion" EXACT IUPAC_NAME [IUPAC:] synonym: "Hg3(2+)" RELATED [IUPAC:] synonym: "trimercury(2+)" EXACT IUPAC_NAME [IUPAC:] synonym: "Hg3" RELATED FORMULA [ChEBI:] synonym: "[Hg+][Hg][Hg+]" RELATED SMILES [ChEBI:] synonym: "InChI=1S/3Hg/q;2*+1" RELATED InChI [ChEBI:] synonym: "InChIKey=PDBOWILBZCIIPN-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: Gmelin:773693 "Gmelin Registry Number" is_a: CHEBI:25197 [Term] id: CHEBI:50237 name: tetramercury(2+) def: "A mercury cation that has formula Hg4." [] synonym: "Hg4(2+)" RELATED [IUPAC:] synonym: "tetramercury(2+) ion" EXACT IUPAC_NAME [IUPAC:] synonym: "tetramercury cation" RELATED [ChEBI:] synonym: "tetramercury(2+)" EXACT IUPAC_NAME [IUPAC:] synonym: "Hg4" RELATED FORMULA [ChEBI:] synonym: "[Hg+][Hg][Hg][Hg+]" RELATED SMILES [ChEBI:] synonym: "InChI=1S/4Hg/q;;2*+1" RELATED InChI [ChEBI:] synonym: "InChIKey=VTXZHDVTZMYWTN-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: Gmelin:984612 "Gmelin Registry Number" is_a: CHEBI:25197 [Term] id: CHEBI:63056 name: zinc cation is_a: CHEBI:27365 is_a: CHEBI:33515 [Term] id: CHEBI:37255 name: zinc(1+) def: "A zinc cation that has formula Zn." [] synonym: "zinc ion (1+)" RELATED [NIST Chemistry WebBook:] synonym: "zinc(I) cation" EXACT IUPAC_NAME [IUPAC:] synonym: "zinc(1+) ion" EXACT IUPAC_NAME [IUPAC:] synonym: "zinc(1+)" EXACT IUPAC_NAME [IUPAC:] synonym: "zinc, ion (Zn1+)" RELATED [ChemIDplus:] synonym: "Zn(+)" RELATED [IUPAC:] synonym: "Zn" RELATED FORMULA [ChEBI:] synonym: "[Zn+]" RELATED SMILES [ChEBI:] synonym: "InChI=1S/Zn/q+1" RELATED InChI [ChEBI:] synonym: "InChIKey=PLSXAKJQEDOMBH-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: NIST Chemistry WebBook:15176-26-8 "CAS Registry Number" xref: ChemIDplus:15176-26-8 "CAS Registry Number" xref: Gmelin:15217 "Gmelin Registry Number" is_a: CHEBI:25414 is_a: CHEBI:63056 [Term] id: CHEBI:37239 name: molybdenum cation synonym: "molybdenum cation" EXACT IUPAC_NAME [IUPAC:] synonym: "molybdenum cations" RELATED [ChEBI:] synonym: "Mo cation" RELATED [UniProt:] synonym: "Mo" RELATED FORMULA [ChEBI:] is_a: CHEBI:37237 is_a: CHEBI:33515 [Term] id: CHEBI:49414 name: molybdenum(4+) alt_id: CHEBI:49409 alt_id: CHEBI:30509 def: "A molybdenum cation that has formula Mo." [] synonym: "MOLYBDENUM(IV) ION" RELATED [PDBeChem:] synonym: "molybdenum(4+)" EXACT IUPAC_NAME [IUPAC:] synonym: "Mo(4+)" RELATED [IUPAC:] synonym: "molybdenum(4+) ion" EXACT IUPAC_NAME [IUPAC:] synonym: "Molybdenum, ion (Mo4+)" RELATED [ChemIDplus:] synonym: "molybdenum(IV) cation" EXACT IUPAC_NAME [IUPAC:] synonym: "Mo" RELATED FORMULA [ChEBI:] synonym: "[Mo+4]" RELATED SMILES [ChEBI:] synonym: "InChI=1S/Mo/q+4" RELATED InChI [ChEBI:] synonym: "InChIKey=ZIKKVZAYJJZBGE-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: PDBeChem:4MO "PDBeChem" xref: Gmelin:54125 "Gmelin Registry Number" xref: ChemIDplus:21175-08-6 "CAS Registry Number" is_a: CHEBI:26937 is_a: CHEBI:37239 [Term] id: CHEBI:49446 name: molybdenum(6+) alt_id: CHEBI:30510 alt_id: CHEBI:49445 def: "A molybdenum cation that has formula Mo." [] synonym: "Mo(6+)" RELATED [UniProt:] synonym: "molybdenum(VI) cation" EXACT IUPAC_NAME [IUPAC:] synonym: "molybdenum(6+)" EXACT [IUPAC:] synonym: "Molybdenum, ion (Mo(6+))" RELATED [ChemIDplus:] synonym: "molybdenum(6+) ion" EXACT IUPAC_NAME [IUPAC:] synonym: "Mo(6+)" RELATED [IUPAC:] synonym: "MOLYBDENUM(VI) ION" RELATED [PDBeChem:] synonym: "Mo" RELATED FORMULA [ChEBI:] synonym: "[Mo+6]" RELATED SMILES [ChEBI:] synonym: "InChI=1S/Mo/q+6" RELATED InChI [ChEBI:] synonym: "InChIKey=HCNGUXXTNNIKCQ-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: ChemIDplus:16065-87-5 "CAS Registry Number" xref: Gmelin:8440 "Gmelin Registry Number" xref: PDBeChem:6MO "PDBeChem" is_a: CHEBI:33423 is_a: CHEBI:37239 [Term] id: CHEBI:30511 name: molybdenum(5+) def: "A molybdenum cation that has formula Mo." [] synonym: "molybdenum(5+) ion" EXACT IUPAC_NAME [IUPAC:] synonym: "Molybdenum, ion (Mo5+)" RELATED [ChemIDplus:] synonym: "molybdenum(5+)" EXACT IUPAC_NAME [IUPAC:] synonym: "molybdenum(V) cation" EXACT IUPAC_NAME [IUPAC:] synonym: "Mo(5+)" RELATED [IUPAC:] synonym: "Mo" RELATED FORMULA [ChEBI:] synonym: "[Mo+5]" RELATED SMILES [ChEBI:] synonym: "InChI=1S/Mo/q+5" RELATED InChI [ChEBI:] synonym: "InChIKey=UMOJXGMTIHBUTN-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: Gmelin:17731 "Gmelin Registry Number" xref: ChemIDplus:22541-84-0 "CAS Registry Number" is_a: CHEBI:33422 is_a: CHEBI:37239 [Term] id: CHEBI:63063 name: cadmium cation def: "A transition element cation where the metal is specifed as cadmium." [] synonym: "cadmium cations" RELATED [ChEBI:] is_a: CHEBI:33515 [Term] id: CHEBI:63526 name: platinum cation def: "A transition element cation that is a form of platinum having had electrons removed resulting in the 2+, 3+, or 4+ cation." [] synonym: "platinum cations" RELATED [ChEBI:] synonym: "Pt(n+)" RELATED [ChEBI:] is_a: CHEBI:33515 [Term] id: CHEBI:49836 name: platinum(4+) alt_id: CHEBI:33399 alt_id: CHEBI:49835 def: "A platinum cation that has formula Pt." [] synonym: "platinum(4+) ion" EXACT IUPAC_NAME [IUPAC:] synonym: "platinum(4+)" EXACT IUPAC_NAME [IUPAC:] synonym: "Pt(4+)" RELATED [IUPAC:] synonym: "platinum(IV) cation" EXACT IUPAC_NAME [IUPAC:] synonym: "Pt" RELATED FORMULA [ChEBI:] synonym: "[Pt+4]" RELATED SMILES [ChEBI:] synonym: "InChI=1S/Pt/q+4" RELATED InChI [ChEBI:] synonym: "InChIKey=NDBYXKQCPYUOMI-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: Gmelin:7612 "Gmelin Registry Number" xref: ChemIDplus:22541-31-7 "CAS Registry Number" is_a: CHEBI:63526 is_a: CHEBI:26937 is_a: CHEBI:49202 [Term] id: CHEBI:33398 name: platinum(3+) def: "A platinum cation that has formula Pt." [] synonym: "platinum(3+)" EXACT IUPAC_NAME [IUPAC:] synonym: "Pt(3+)" EXACT IUPAC_NAME [IUPAC:] synonym: "platinum(III) cation" EXACT IUPAC_NAME [IUPAC:] synonym: "platinum(3+) ion" EXACT IUPAC_NAME [IUPAC:] synonym: "Pt" RELATED FORMULA [ChEBI:] synonym: "[Pt+3]" RELATED SMILES [ChEBI:] synonym: "InChI=1S/Pt/q+3" RELATED InChI [ChEBI:] synonym: "InChIKey=FTDZDYKQOAOCRU-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: Gmelin:251430 "Gmelin Registry Number" is_a: CHEBI:27153 is_a: CHEBI:49202 is_a: CHEBI:63526 [Term] id: CHEBI:60240 name: divalent metal cation def: "A metal cation with a valence of two." [] synonym: "a divalent metal cation" RELATED [UniProt:] is_a: CHEBI:25213 is_a: CHEBI:64641 [Term] id: CHEBI:63062 name: aluminium cation def: "An aluminium atom having a positive net electric charge." [] synonym: "Al cations" RELATED [ChEBI:] synonym: "Al cation" RELATED [ChEBI:] synonym: "aluminium cations" RELATED [ChEBI:] is_a: CHEBI:25213 is_a: CHEBI:60272 [Term] id: CHEBI:49470 name: aluminium(3+) alt_id: CHEBI:29106 alt_id: CHEBI:49469 def: "An aluminium cation that has formula Al." [] synonym: "aluminium(III) cation" EXACT IUPAC_NAME [IUPAC:] synonym: "Al(3+)" RELATED [IUPAC:] synonym: "aluminium(3+)" EXACT IUPAC_NAME [IUPAC:] synonym: "aluminium(3+) ion" EXACT IUPAC_NAME [IUPAC:] synonym: "ALUMINUM ION" RELATED [PDBeChem:] synonym: "Al" RELATED FORMULA [ChEBI:] synonym: "[Al+3]" RELATED SMILES [ChEBI:] synonym: "InChI=1S/Al/q+3" RELATED InChI [ChEBI:] synonym: "InChIKey=REDXJYDRNCIFBQ-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: Gmelin:15989 "Gmelin Registry Number" xref: PDBeChem:AL "PDBeChem" is_a: CHEBI:63062 is_a: CHEBI:27153 is_a: CHEBI:33627 [Term] id: CHEBI:30150 name: aluminium(1+) def: "An aluminium cation that has formula Al." [] synonym: "aluminium(1+)" EXACT IUPAC_NAME [IUPAC:] synonym: "aluminum cation" RELATED [NIST Chemistry WebBook:] synonym: "aluminium(I) cation" EXACT IUPAC_NAME [IUPAC:] synonym: "Al(+)" RELATED [IUPAC:] synonym: "aluminium(1+) ion" EXACT IUPAC_NAME [IUPAC:] synonym: "Al" RELATED FORMULA [ChEBI:] synonym: "[Al+]" RELATED SMILES [ChEBI:] synonym: "InChI=1S/Al/q+1" RELATED InChI [ChEBI:] synonym: "InChIKey=KVLCHQHEQROXGN-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: Gmelin:15177 "Gmelin Registry Number" xref: NIST Chemistry WebBook:14903-36-7 "CAS Registry Number" is_a: CHEBI:25414 is_a: CHEBI:33627 is_a: CHEBI:63062 [Term] id: CHEBI:60252 name: lead cation def: "A lead atom having a positive net electric charge." [] is_a: CHEBI:60249 is_a: CHEBI:25213 [Term] id: CHEBI:30180 name: lead(4+) def: "A lead cation that has formula Pb." [] synonym: "lead(4+) ion" EXACT IUPAC_NAME [IUPAC:] synonym: "lead(4+)" EXACT IUPAC_NAME [IUPAC:] synonym: "lead(IV) cation" EXACT IUPAC_NAME [IUPAC:] synonym: "Lead, ion (Pb4+)" RELATED [ChemIDplus:] synonym: "Pb(4+)" RELATED [IUPAC:] synonym: "Pb" RELATED FORMULA [ChEBI:] synonym: "[Pb+4]" RELATED SMILES [ChEBI:] synonym: "InChI=1S/Pb/q+4" RELATED InChI [ChEBI:] synonym: "InChIKey=TYDJWWAXVOMTQR-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: Gmelin:7611 "Gmelin Registry Number" xref: ChemIDplus:15158-12-0 "CAS Registry Number" is_a: CHEBI:26937 is_a: CHEBI:60252 [Term] id: CHEBI:39124 name: calcium ion synonym: "calcium ion" EXACT [ChEBI:] synonym: "calcium ions" RELATED [ChEBI:] synonym: "Ca" RELATED FORMULA [ChEBI:] is_a: CHEBI:35155 is_a: CHEBI:25213 [Term] id: CHEBI:25414 name: monoatomic monocation synonym: "monoatomic monocations" RELATED [ChEBI:] synonym: "monovalent inorganic cations" RELATED [ChEBI:] synonym: "." RELATED FORMULA [ChEBI:] synonym: "[*+]" RELATED SMILES [ChEBI:] is_a: CHEBI:23906 [Term] id: CHEBI:30165 name: boron(1+) def: "A monoatomic boron that has formula B." [] synonym: "B(+)" RELATED [IUPAC:] synonym: "boron(1+)" EXACT IUPAC_NAME [IUPAC:] synonym: "boron(1+) ion" EXACT IUPAC_NAME [IUPAC:] synonym: "boron(I) cation" EXACT IUPAC_NAME [IUPAC:] synonym: "Boron, ion (B1+)" RELATED [ChemIDplus:] synonym: "Boron cation" RELATED [NIST Chemistry WebBook:] synonym: "B" RELATED FORMULA [ChEBI:] synonym: "[B+]" RELATED SMILES [ChEBI:] synonym: "InChI=1S/B/q+1" RELATED InChI [ChEBI:] synonym: "InChIKey=HYFJXBYGHMZZPQ-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: NIST Chemistry WebBook:14594-80-0 "CAS Registry Number" xref: ChemIDplus:14594-80-0 "CAS Registry Number" xref: Gmelin:39354 "Gmelin Registry Number" is_a: CHEBI:25414 is_a: CHEBI:33610 [Term] id: CHEBI:30120 name: chlorine(1+) def: "A monoatomic chlorine that has formula Cl." [] synonym: "chlorine(1+) ion" EXACT IUPAC_NAME [IUPAC:] synonym: "chlorine(I) cation" EXACT IUPAC_NAME [IUPAC:] synonym: "Cl(+)" RELATED [IUPAC:] synonym: "Chlorine cation" RELATED [NIST Chemistry WebBook:] synonym: "chlorine(1+)" EXACT IUPAC_NAME [IUPAC:] synonym: "Cl" RELATED FORMULA [ChEBI:] synonym: "[Cl+]" RELATED SMILES [ChEBI:] synonym: "InChI=1S/Cl/q+1" RELATED InChI [ChEBI:] synonym: "InChIKey=KVPIFZRDXDYGBA-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: NIST Chemistry WebBook:24203-47-2 "CAS Registry Number" xref: Gmelin:15185 "Gmelin Registry Number" is_a: CHEBI:25414 is_a: CHEBI:33432 [Term] id: CHEBI:15378 name: hydron alt_id: CHEBI:13357 alt_id: CHEBI:5584 alt_id: CHEBI:10744 def: "The general name for the hydrogen nucleus, to be used without regard to the hydrogen nuclear mass (either for hydrogen in its natural abundance or where it is not desired to distinguish between the isotopes)." [] synonym: "hydron" EXACT IUPAC_NAME [IUPAC:] synonym: "H(+)" RELATED [UniProt:] synonym: "hydrogen(1+)" EXACT IUPAC_NAME [IUPAC:] synonym: "H+" RELATED [KEGG COMPOUND:] synonym: "H" RELATED FORMULA [KEGG COMPOUND:] synonym: "[H+]" RELATED SMILES [ChEBI:] synonym: "InChI=1S/p+1" RELATED InChI [ChEBI:] synonym: "InChIKey=GPRLSGONYQIRFK-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: KEGG COMPOUND:C00080 "KEGG COMPOUND" is_a: CHEBI:33252 is_a: CHEBI:33251 is_a: CHEBI:25414 is_a: CHEBI:60242 [Term] id: CHEBI:24636 name: proton def: "Nuclear particle of charge number +1, spin 1/2 and rest mass of 1.007276470(12) u." [] synonym: "proton" EXACT [ChEBI:] synonym: "(1)H(+)" RELATED [IUPAC:] synonym: "protium(1+)" EXACT IUPAC_NAME [IUPAC:] synonym: "p(+)" RELATED [IUPAC:] synonym: "proton" EXACT IUPAC_NAME [IUPAC:] synonym: "p" RELATED [IUPAC:] synonym: "(1)1H(+)" RELATED [IUPAC:] synonym: "H" RELATED FORMULA [ChEBI:] synonym: "[1H+]" RELATED SMILES [ChEBI:] synonym: "InChI=1S/p+1/i/hH" RELATED InChI [ChEBI:] synonym: "InChIKey=GPRLSGONYQIRFK-FTGQXOHASA-N" RELATED InChIKey [ChEBI:] xref: ChEBI:C00080 "KEGG COMPOUND" xref: NIST Chemistry WebBook:12408-02-5 "CAS Registry Number" xref: ChemIDplus:12408-02-5 "CAS Registry Number" is_a: CHEBI:15378 is_a: CHEBI:33253 [Term] id: CHEBI:29236 name: protium atom def: "The stable isotope of hydrogen with relative atomic mass 1.007825 and a natural abundance of 99.9885 atom percent (from Greek pirhoomegatauomicronsigma, first)." [] synonym: "hydrogen-1" RELATED [ChEBI:] synonym: "protium" EXACT IUPAC_NAME [IUPAC:] synonym: "protium" RELATED [ChEBI:] synonym: "protio" RELATED [ChEBI:] synonym: "(1)1H" RELATED [IUPAC:] synonym: "(1)H" RELATED [IUPAC:] synonym: "H" RELATED FORMULA [ChEBI:] synonym: "[1H]" RELATED SMILES [ChEBI:] synonym: "InChI=1S/H/i1+0" RELATED InChI [ChEBI:] synonym: "InChIKey=YZCKVEUIGOORGS-IGMARMGPSA-N" RELATED InChIKey [ChEBI:] is_a: CHEBI:49637 relationship: has_part CHEBI:24636 [Term] id: CHEBI:29234 name: triton def: "Nucleus of the (3)H atom." [] synonym: "(3)1H(+)" RELATED [IUPAC:] synonym: "t(+)" RELATED [IUPAC:] synonym: "(3)H(+)" RELATED [IUPAC:] synonym: "tritium(1+)" EXACT IUPAC_NAME [IUPAC:] synonym: "t" RELATED [IUPAC:] synonym: "triton" EXACT IUPAC_NAME [IUPAC:] synonym: "T(+)" RELATED [IUPAC:] synonym: "T" RELATED FORMULA [ChEBI:] synonym: "[3H+]" RELATED SMILES [ChEBI:] synonym: "InChI=1S/p+1/i/hT" RELATED InChI [ChEBI:] synonym: "InChIKey=GPRLSGONYQIRFK-MNYXATJNSA-N" RELATED InChIKey [ChEBI:] xref: Gmelin:90855 "Gmelin Registry Number" is_a: CHEBI:15378 [Term] id: CHEBI:29238 name: tritium atom def: "The radioactive isotope of hydrogen with relative atomic mass 3.016049 and half-life of 12.33 years (from Greek taurhoiotatauomicronsigma, third)." [] synonym: "tritio" RELATED [ChEBI:] synonym: "ueberschwerer Wasserstoff" RELATED [ChEBI:] synonym: "hydrogen-3" RELATED [ChEBI:] synonym: "T" RELATED [IUPAC:] synonym: "tritium" EXACT IUPAC_NAME [IUPAC:] synonym: "(3)H" RELATED [IUPAC:] synonym: "tritium" RELATED [ChEBI:] synonym: "(3)1H" RELATED [IUPAC:] synonym: "T" RELATED FORMULA [ChEBI:] synonym: "[3H]" RELATED SMILES [ChEBI:] synonym: "InChI=1S/H2/h1H/i1+2" RELATED InChI [ChEBI:] synonym: "InChIKey=UFHFLCQGNIYNRP-NJFSPNSNSA-N" RELATED InChIKey [ChEBI:] is_a: CHEBI:49637 relationship: has_part CHEBI:29234 [Term] id: CHEBI:29233 name: deuteron def: "Nucleus of the (2)H atom." [] synonym: "deuterium cation" RELATED [NIST Chemistry WebBook:] synonym: "deuterium(1+)" EXACT IUPAC_NAME [IUPAC:] synonym: "(2)1H(+)" RELATED [IUPAC:] synonym: "D(+)" RELATED [IUPAC:] synonym: "d" RELATED [IUPAC:] synonym: "deuteron" EXACT IUPAC_NAME [IUPAC:] synonym: "d(+)" RELATED [IUPAC:] synonym: "(2)H(+)" RELATED [IUPAC:] synonym: "D" RELATED FORMULA [ChEBI:] synonym: "[2H+]" RELATED SMILES [ChEBI:] synonym: "InChI=1S/p+1/i/hD" RELATED InChI [ChEBI:] synonym: "InChIKey=GPRLSGONYQIRFK-DYCDLGHISA-N" RELATED InChIKey [ChEBI:] xref: NIST Chemistry WebBook:14464-47-2 "CAS Registry Number" xref: Gmelin:12590 "Gmelin Registry Number" xref: ChemIDplus:12597-73-8 "CAS Registry Number" is_a: CHEBI:15378 [Term] id: CHEBI:29237 name: deuterium atom def: "The stable isotope of hydrogen with relative atomic mass 2.014102 and a natural abundance of 0.0115 atom percent (from Greek deltaepsilonupsilontauepsilonrhoomicronnu, second)." [] synonym: "deuterium" RELATED [ChEBI:] synonym: "deuterio" RELATED [ChEBI:] synonym: "hidrogeno pesado" RELATED [ChEBI:] synonym: "deuterium" EXACT IUPAC_NAME [IUPAC:] synonym: "schwerer Wasserstoff" RELATED [ChEBI:] synonym: "deuterium" RELATED [ChEBI:] synonym: "D" RELATED [IUPAC:] synonym: "Deuterium" RELATED [ChEBI:] synonym: "hydrogen-2" RELATED [ChEBI:] synonym: "(2)1H" RELATED [IUPAC:] synonym: "(2)H" RELATED [IUPAC:] synonym: "heavy hydrogen" RELATED [ChEBI:] synonym: "D" RELATED FORMULA [ChEBI:] synonym: "[2H]" RELATED SMILES [ChEBI:] synonym: "InChI=1S/H2/h1H/i1+1" RELATED InChI [ChEBI:] synonym: "InChIKey=UFHFLCQGNIYNRP-OUBTZVSYSA-N" RELATED InChIKey [ChEBI:] is_a: CHEBI:49637 relationship: has_part CHEBI:29233 [Term] id: CHEBI:30240 name: fluorine(1+) def: "A monoatomic fluorine that has formula F." [] synonym: "fluorine(1+)" EXACT IUPAC_NAME [IUPAC:] synonym: "Fluorine cation" RELATED [NIST Chemistry WebBook:] synonym: "F(+)" RELATED [IUPAC:] synonym: "F" RELATED FORMULA [ChEBI:] synonym: "[F+]" RELATED SMILES [ChEBI:] synonym: "InChI=1S/F/q+1" RELATED InChI [ChEBI:] synonym: "InChIKey=LMHDQOWNISVSPD-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:] xref: NIST Chemistry WebBook:14701-13-4 "CAS Registry Number" xref: Gmelin:15174 "Gmelin Registry Number" is_a: CHEBI:25414 is_a: CHEBI:36895 [Term] id: CHEBI:49482 name: gold(1+) alt_id: CHEBI:30029 alt_id: CHEBI:49480 def: "An elemental gold that has f