Aroxybutynin
4-(diethylamino)but-2-ynyl (2R)-2-cyclohexyl-2-hydroxy-2-phenylacetate
Molecular Identity
Aroxybutynin
4-(diethylamino)but-2-ynyl (2R)-2-cyclohexyl-2-hydroxy-2-phenylacetate
PubChem CID: 6098167
(R)-oxybutynin is a 4-(diethylamino)but-2-yn-1-ol that has R configuration. It is responsible for virtually all of the antimuscarinic activity of (racemic) oxybutynin. It has a role as a local anaesthetic, a calcium channel blocker and a cholinergic antagonist. It is an enantiomer of 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)
(r)-oxybutyninAroxybutyninOxybutynin, (-)-OXYBUTYNIN, (R)-UNII-5BRQ29UUB7CHEBI:1445524-(diethylamino)but-2-yn-1-yl (2R)-cyclohexyl(hydroxy)phenylacetateRefChem:199631119618-21-2(-)-Oxybutyninr-oxybutynin4-(diethylamino)but-2-ynyl (2R)-2-cyclohexyl-2-hydroxy-2-phenylacetate5BRQ29UUB7CHEMBL185434(R)-Oxybutynin Chloride
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Aroxybutynin
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