CHEBI:7856 - oxybutynin

ChEBI IDCHEBI:7856
ChEBI Nameoxybutynin
Stars
DefinitionA racemate comprising equimolar amounts of (R)-oxybutynin and esoxybutynin. An antispasmodic used for the treatment of overactive bladder.
Last Modified26 September 2019
DownloadsMolfile
FormulaC22H31NO3
Net Charge0
Average Mass357.494
Monoisotopic Mass357.23039
SMILESCCN(CC)CC#CCOC(=O)C(O)(c1ccccc1)C1CCCCC1
InChIInChI=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
InChIKeyXIQVNETUBQGFHX-UHFFFAOYSA-N
Wikipedia
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Roles:
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.
calcium channel blocker  One of a class of drugs that acts by selective inhibition of calcium influx through cell membranes or on the release and binding of calcium in intracellular pools.
muscarinic antagonist  A drug that binds to but does not activate muscarinic cholinergic receptors, thereby blocking the actions of endogenous acetylcholine or exogenous agonists.
Applications:
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.
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.
local anaesthetic  Any member of a group of drugs that reversibly inhibit the propagation of signals along nerves. Wide variations in potency, stability, toxicity, water-solubility and duration of action determine the route used for administration, e.g. topical, intravenous, epidural or spinal block.
ChEBI Ontology
Outgoing Relation(s)
oxybutynin (CHEBI:7856) has part (R)-oxybutynin (CHEBI:144552)
oxybutynin (CHEBI:7856) has part esoxybutynin (CHEBI:51329)
oxybutynin (CHEBI:7856) has role antispasmodic drug (CHEBI:53784)
oxybutynin (CHEBI:7856) has role calcium channel blocker (CHEBI:38215)
oxybutynin (CHEBI:7856) has role local anaesthetic (CHEBI:36333)
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 racemate (CHEBI:60911)
oxybutynin (CHEBI:7856) is a tertiary amino compound (CHEBI:50996)
Incoming Relation(s)
oxybutynin chloride (CHEBI:7857) has part oxybutynin (CHEBI:7856)
IUPAC Name 
rac-4-(diethylamino)but-2-yn-1-yl cyclohexyl(hydroxy)phenylacetate
INNs  Source
oxybutyninChemIDplus
oxybutyninumChemIDplus
oxybutynineChemIDplus
oxibutininaChemIDplus
Synonyms  Source
OxybutyninKEGG COMPOUND
ditropanDrugCentral
kenteraDrugCentral
Brand Name  Source
DitropanChEBI
Manual XrefsDatabases
C07360KEGG COMPOUND
D00465KEGG DRUG
DB01062DrugBank
GB940540Patent
OxybutyninWikipedia
LSM-5111LINCS
2028DrugCentral
Registry NumbersSources
Beilstein:2707356Beilstein
CAS:5633-20-5KEGG COMPOUND
CAS:5633-20-5ChemIDplus