CHEBI:51330 - esoxybutynin chloride

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ChEBI Name esoxybutynin chloride
ChEBI ID CHEBI:51330
Stars This entity has been manually annotated by the ChEBI Team.
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Formulae C22H31NO3.Cl.H
C22H32ClNO3
Net Charge 0
Average Mass 393.950
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/t22-;/m1./s1
InChIKey SWIJYDAEGSIQPZ-VZYDHVRKSA-N
SMILES [H+].[Cl-].C1(CCCCC1)[C@@](C(OCC#CCN(CC)CC)=O)(C2=CC=CC=C2)O
ChEBI Ontology
Outgoing esoxybutynin chloride (CHEBI:51330) has part esoxybutynin (CHEBI:51329)
esoxybutynin chloride (CHEBI:51330) is a hydrochloride (CHEBI:36807)
IUPAC Name
4-(diethylamino)but-2-yn-1-yl (2S)-cyclohexyl(hydroxy)phenylacetate hydrochloride
Manual Xrefs Databases
D04057 KEGG DRUG
DB01062 DrugBank
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Registry Number Type Source
230949-16-3 CAS Registry Number ChemIDplus
Last Modified
16 August 2019