oxybutynin

Ligand id: 359

Name: oxybutynin

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 8
Topological polar surface area 49.77
Molecular weight 357.23
XLogP 5.37
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Approved drug? Yes (FDA (1975), EMA (2004))
IUPAC Name
4-diethylaminobut-2-ynyl 2-cyclohexyl-2-hydroxy-2-phenylacetate
International Nonproprietary Names
INN number INN
1354 oxybutynin
Synonyms
Cystrin® | Ditropan® | oxybutynin chloride
Database Links
BindingDB Ligand 50165019
CAS Registry No. 5633-20-5 (source: ChEBI)
ChEBI CHEBI:7856
ChEMBL Ligand CHEMBL1231
DrugBank Ligand DB01062
GtoPdb PubChem SID 135650784
PubChem CID 4634
Search Google for chemical match using the InChIKey XIQVNETUBQGFHX-UHFFFAOYSA-N
Search Google for chemicals with the same backbone XIQVNETUBQGFHX
Search PubMed clinical trials oxybutynin
Search PubMed titles oxybutynin
Search PubMed titles/abstracts oxybutynin
Search UniChem for chemical match using the InChIKey XIQVNETUBQGFHX-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone XIQVNETUBQGFHX
Wikipedia Oxybutynin
Comments
Oxybutynin is a racemic mixture of stereoisomers. We show the non-chiral molecule to represent the mixture. PubChem lists all 3 isomers here.