CHEBI:7856 - oxybutynin

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ChEBI Name oxybutynin
ChEBI ID CHEBI:7856
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C22H31NO3
Net Charge 0
Average Mass 357.48648
Monoisotopic Mass 357.230
InChI InChI=1S/C22H31NO3/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
InChIKey XIQVNETUBQGFHX-UHFFFAOYSA-N
SMILES CCN(CC)CC#CCOC(=O)C(O)(C1CCCCC1)c1ccccc1
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
Biological Role(s): parasympatholytic
Any cholinergic antagonist that inhibits the actions of the parasympathetic nervous system. The major group of drugs used therapeutically for this purpose is the muscarinic antagonists.
muscarinic antagonist
A drug that binds to but does not activate muscarinic cholinergic receptors, thereby blocking the actions of endogenous acetylcholine or exogenous agonists.
Application(s): parasympatholytic
Any cholinergic antagonist that inhibits the actions of the parasympathetic nervous system. The major group of drugs used therapeutically for this purpose is the muscarinic antagonists.
antispasmodic drug
A drug that suppresses spasms. These are usually caused by smooth muscle contraction, especially in tubular organs. The effect is to prevent spasms of the stomach, intestine or urinary bladder.
muscle relaxant
A drug used to produce muscle relaxation (excepting neuromuscular blocking agents). Its primary clinical and therapeutic use is the treatment of muscle spasm and immobility associated with strains, sprains, and injuries of the back and, to a lesser degree, injuries to the neck. Also used for the treatment of a variety of clinical conditions that have in common only the presence of skeletal muscle hyperactivity, for example, the muscle spasms that can occur in multiple sclerosis.
muscarinic antagonist
A drug that binds to but does not activate muscarinic cholinergic receptors, thereby blocking the actions of endogenous acetylcholine or exogenous agonists.
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ChEBI Ontology
Outgoing oxybutynin (CHEBI:7856) has role antispasmodic drug (CHEBI:53784)
oxybutynin (CHEBI:7856) has role muscarinic antagonist (CHEBI:48876)
oxybutynin (CHEBI:7856) has role muscle relaxant (CHEBI:51371)
oxybutynin (CHEBI:7856) has role parasympatholytic (CHEBI:50370)
oxybutynin (CHEBI:7856) is a acetate ester (CHEBI:47622)
oxybutynin (CHEBI:7856) is a acetylenic compound (CHEBI:73474)
oxybutynin (CHEBI:7856) is a tertiary alcohol (CHEBI:26878)
oxybutynin (CHEBI:7856) is a tertiary amine (CHEBI:32876)
Incoming oxybutynin chloride (CHEBI:7857) has part oxybutynin (CHEBI:7856)
esoxybutynin (CHEBI:51329) is a oxybutynin (CHEBI:7856)
IUPAC Name
4-(diethylamino)but-2-yn-1-yl cyclohexyl(hydroxy)phenylacetate
INNs Sources
oxibutinina WHO MedNet
oxybutynin WHO MedNet
oxybutynine WHO MedNet
oxybutyninum WHO MedNet
Synonyms Sources
4-(Diethylamino)-2-butynyl alpha-phenylcyclohexaneglycolic acid ester ChemIDplus
4-Diethylamino-2-butinyl alpha-cyclohexylmandelat ChemIDplus
4-Diethylamino-2-butynyl alpha-phenylcyclohexaneglycolate ChemIDplus
Benzeneacetic acid, alpha-cyclohexyl-alpha-hydroxy-, 4-(diethylamino)-2-butynyl ester ChemIDplus
Cyclohexaneglycolic acid, alpha-phenyl-, 4-(diethylamino)-2-butynyl ester ChemIDplus
Oxybutynin KEGG COMPOUND
Manual Xrefs Databases
2028 DrugCentral
C07360 KEGG COMPOUND
D00465 KEGG DRUG
DB01062 DrugBank
GB940540 Patent
LSM-5111 LINCS
Oxybutynin Wikipedia
View more database links
Registry Numbers Types Sources
2707356 Beilstein Registry Number Beilstein
5633-20-5 CAS Registry Number ChemIDplus
Last Modified
22 February 2017