CHEBI:7857 - oxybutynin chloride

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name oxybutynin chloride
ChEBI ID CHEBI:7857
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formulae C22H31NO3.HCl
C22H32ClNO3
Net Charge 0
Average Mass 393.94712
Monoisotopic Mass 393.20707
InChI 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
InChIKey SWIJYDAEGSIQPZ-UHFFFAOYSA-N
SMILES [H+].[Cl-].CCN(CC)CC#CCOC(=O)C(O)(C1CCCCC1)c1ccccc1
ChEBI Ontology
Outgoing 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 Sources
4-(Diethylamino)-2-butynyl alpha-phenylcyclohexaneglycolate hydrochloride ChemIDplus
4-Diethylamino-2-butynyl phenyl(cyclohexyl)glycolate hydrochloride ChemIDplus
Manual Xrefs Databases
D00722 KEGG DRUG
DB01062 DrugBank
View more database links
Registry Numbers Types Sources
1508-65-2 CAS Registry Number ChemIDplus
4833152 Beilstein Registry Number Beilstein
Last Modified
08 January 2009