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Oxybutynin

CAT: 0024-sc-489869Size: 1 gDry Ice: NoHazardous: No
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CAS Number
5633-20-5

Chemical Information

Oxybutynin

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.

CAS Number5633-20-5
PubChem CID4634
IUPAC Name4-(diethylamino)but-2-ynyl 2-cyclohexyl-2-hydroxy-2-phenylacetate
Molecular FormulaC22H31NO3
Molecular Weight357.5
XLogP4.2
Topological Polar Surface Area49.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Heavy Atom Count26
Formal Charge0
Complexity490
SMILES
CCN(CC)CC#CCOC(=O)C(C1CCCCC1)(C2=CC=CC=C2)O
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
InChIKey
XIQVNETUBQGFHX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Oxybutynin
CAS: 5633-20-5
CID: 4634
Formula: C22H31NO3
MW: 357.5
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight357.5
XLogP34.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Exact Mass357.23039385
Monoisotopic Mass357.23039385
Topological Polar Surface Area49.8 Ų
Heavy Atom Count26
Formal Charge0
Complexity490
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
A8495-5.1Oxybutynin
B1134-5.1Oxybutynin chloride
HY-B0267R-01Oxybutynin (Standard)
RM-O240212-01Oxybutynin D5
RM-O240200-01Oxybutynin Hydrochloride

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