(S)-Oxybutynin
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(S)-Oxybutynin
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CAS No:
119618-22-3
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Formula:
C22H31NO3
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Chemical Name:
(S)-Oxybutynin
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Synonyms:
Benzeneacetic acid,α-cyclohexyl-α-hydroxy-,4-(diethylamino)-2-butyn-1-yl ester,(αS)-;Benzeneacetic acid,α-cyclohexyl-α-hydroxy-,4-(diethylamino)-2-butynyl ester,(S)-;Benzeneacetic acid,α-cyclohexyl-α-hydroxy-,4-(diethylamino)-2-butynyl ester,(αS)-;(S)-Oxybutynin;Esoxybutynin
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CAS No:
Description
Off-White Solid
Esoxybutynin is a 4-(diethylamino)but-2-yn-1-ol yhat has S configuration. In contrast to the (R)- enantiomer, esoxybutynin exhibits essentially no anticholinergic activity. It has a role as a muscarinic antagonist, a local anaesthetic and a calcium channel blocker. It is an enantiomer of a (R)-oxybutynin.
Characteristics
49.77000
3.34290
Off-white solid
1.097
52-54°C
494.4±45.0 °C(Predicted)
252.8ºC
1.546
Refrigerator, Under Inert Atmosphere
1.37E-10mmHg at 25°C
Drug Information
(s)-oxybutynin has known human metabolites that include 2-cyclohexyl-2-phenylglycolic acid, 4-(diethylamino)but-2-yn-1-ol, and N-desethyloxybutynin.
(S)-Oxybutynin Use and Manufacturing
The optically avtice inhibitor of proliferation and supresses gene expression in bladder smooth muscle cells
Computed Properties
Molecular Weight:357.5
XLogP3:4.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:8
Exact Mass:357.23039385
Monoisotopic Mass:357.23039385
Topological Polar Surface Area:49.8
Heavy Atom Count:26
Complexity:490
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes