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CHEBI:7857 - oxybutynin chloride

ChEBI IDCHEBI:7857
ChEBI Nameoxybutynin chloride
Stars
Last Modified8 January 2009
DownloadsMolfile
FormulaH.C22H31NO3.Cl
Net Charge0
Average Mass393.955
Monoisotopic Mass393.20707
SMILESCCN(CC)CC#CCOC(=O)C(O)(c1ccccc1)C1CCCCC1.[Cl-].[H+]
InChIInChI=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
InChIKeySWIJYDAEGSIQPZ-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
oxybutynin chloride (CHEBI:7857) has part oxybutynin (CHEBI:7856)
oxybutynin chloride (CHEBI:7857) is a hydrochloride (CHEBI:36807)
IUPAC Name 
4-(diethylamino)but-2-yn-1-yl cyclohexyl(hydroxy)phenylacetate hydrochloride
Synonyms  Source
4-(Diethylamino)-2-butynyl alpha-phenylcyclohexaneglycolate hydrochlorideChemIDplus
4-Diethylamino-2-butynyl phenyl(cyclohexyl)glycolate hydrochlorideChemIDplus
Manual XrefsDatabases
D00722KEGG DRUG
DB01062DrugBank
Registry NumbersSources
Beilstein:4833152Beilstein
CAS:1508-65-2ChemIDplus