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Oxybutynin chloride

CAT: 0127-BUP16902-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP16902-01Size:100 mg
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CAS Number
1508-65-2
Synonyms
Oxybutynin hydrochloride, Oxybutynin HCl
Purity
=98%
Smiles
C(C(=O)OCC#CCN(CC)CC)(c1ccccc1)(C1CCCCC1)O.Cl

Chemical Information

Oxybutynin Hydrochloride

Oxybutynin Chloride is the chloride salt form of oxybutynin, a tertiary amine and anticholinergic agent with antispasmodic activity. Oxybutynin chloride exerts its antimuscarinic effect on bladder smooth muscle by blocking muscarinic receptors in smooth muscle, thereby inhibiting acetylcholine binding. This results in a relaxation of bladder smooth muscle, a reduction of involuntary muscle contractions and delays the initial desire to void.

CAS Number1508-65-2
PubChem CID91505
IUPAC Name4-(diethylamino)but-2-ynyl 2-cyclohexyl-2-hydroxy-2-phenylacetate;hydrochloride
Molecular FormulaC22H32ClNO3
Molecular Weight393.9
Topological Polar Surface Area49.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Heavy Atom Count27
Formal Charge0
Complexity490
SMILES
CCN(CC)CC#CCOC(=O)C(C1CCCCC1)(C2=CC=CC=C2)O.Cl
InChI
InChI=1S/C22H31NO3.ClH/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;1H
InChIKey
SWIJYDAEGSIQPZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Oxybutynin Hydrochloride
CAS: 1508-65-2
CID: 91505
Formula: C22H32ClNO3
MW: 393.9
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight393.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Exact Mass393.2070716
Monoisotopic Mass393.2070716
Topological Polar Surface Area49.8 Ų
Heavy Atom Count27
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 Count2
Compound Is CanonicalizedYes

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