Molecular Identity
Oxybutynin
4-(diethylamino)but-2-ynyl 2-cyclohexyl-2-hydroxy-2-phenylacetate
PubChem CID: 4634
Oxybutynin is a racemate comprising equimolar amounts of (R)-oxybutynin and esoxybutynin. An antispasmodic used for the treatment of overactive bladder. It has a role as a local anaesthetic, a calcium channel blocker, a muscarinic antagonist, a parasympatholytic, a muscle relaxant and an antispasmodic drug. It is a tertiary amino compound and a racemate. It contains a (R)-oxybutynin and an esoxybutynin.
2D Structure
Properties
C22H31NO3
Molecular Formula
357.50
Molecular Weight
g/mol
357.2304
Exact Mass
Da
4.2
XLogP
Drug-like (Lipinski: < 5)
49.8
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
4
H-Bond Acceptors
490
Complexity
SMILES
Canonical SMILES
SMILES: CCN(CC)CC#CCOC(=O)C(C1CCCCC1)(C2=CC=CC=C2)OIsomeric SMILES
SMILES: CCN(CC)CC#CCOC(=O)C(C1CCCCC1)(C2=CC=CC=C2)OSynonyms(20)
oxybutynin5633-20-5OxytrolOxybutyninekenteraOxibutininaOxybutyninumAnturolCystrinOxytrol for Women4-Diethylamino-2-butinyl alpha-cyclohexylmandelat4-Diethylamino-2-butynyl alpha-phenylcyclohexaneglycolateK9P6MC7092Cyclohexaneglycolic acid, alpha-phenyl-, 4-(diethylamino)-2-butynyl esterBenzeneacetic acid, alpha-cyclohexyl-alpha-hydroxy-, 4-(diethylamino)-2-butynyl ester
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Oxybutynin
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