oxybutynin   Click here for help

GtoPdb Ligand ID: 359

Synonyms: Cystrin® | Ditropan® | oxybutynin chloride
Approved drug
oxybutynin is an approved drug (FDA (1975), EMA (2004))
Compound class: Synthetic organic
Comment: Oxybutynin is a racemic mixture of stereoisomers. We show the non-chiral molecule to represent the mixture. PubChem lists all 3 isomers here.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 8
Topological polar surface area 49.77
Molecular weight 357.23
XLogP 4.34
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC
Isomeric SMILES CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC
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
InChI Key XIQVNETUBQGFHX-UHFFFAOYSA-N
No information available.
Summary of Clinical Use Click here for help
Used in the treatment of overactive bladder.
Mechanism Of Action and Pharmacodynamic Effects Click here for help
Inhibition of the muscarinic action of acetylcholine on smooth muscle detrusor activity of the bladder is decreased.
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