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> Main
CHEBI:7857 - oxybutynin chloride
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ChEBI Ontology
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ChEBI Name
oxybutynin chloride
ChEBI ID
CHEBI:7857
Stars
This entity has been manually annotated by the ChEBI Team.
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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