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Oxybutynin chloride-(phenyl-[d5])

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General Information
Catalog: BLP-001131
CAS: 1173019-04-9
Molecular Formula: C22H27D5ClNO3
Molecular Weight: 398.98

Chemical Structure

Description	Oxybutynin chloride-(phenyl-[d5]) is an isotope form of Oxybutynin HCl. Oxybutynin is an anticholinergic medication used to relieve urinary and bladder difficulties.
Synonyms	4-(Diethylamino)but-2-yn-1-yl cyclohexyl(hydroxy)(2H5)phenylacetate-hydrogen chloride (1/1)
IUPAC Name	4-(diethylamino)but-2-ynyl 2-cyclohexyl-2-hydroxy-2-(2,3,4,5,6-pentadeuteriophenyl)acetate;hydrochloride
Related CAS	1508-65-2 (unlabelled)
Isomeric SMILES	[2H]C1=C(C(=C(C(=C1[2H])[2H])C(C2CCCCC2)(C(=O)OCC#CCN(CC)CC)O)[2H])[2H].Cl
Canonical 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/i5D,7D,8D,13D,14D;
InChI Key	SWIJYDAEGSIQPZ-QMYMNHACSA-N
Purity	98% atom D