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rac Desethyl Oxybutynin-[d11] Hydrochloride

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rac Desethyl Oxybutynin-[d11] Hydrochloride

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General Information
Catalog: BLP-012094
CAS: 1216405-15-0
Molecular Formula: C20H17D11ClNO3
Molecular Weight: 376.96

Chemical Structure

Description	rac Desethyl Oxybutynin-[d11] Hydrochloride is the labelled analogue of rac Desethyl Oxybutynin. rac Desethyl Oxybutynin is a metabolite of Oxybutynin which is an anticholinergic agent.
Synonyms	α-(Cyclohexyl-d11)-α-hydroxybenzeneacetic Acid 4-(Ethylamino)-2-butynyl Ester Hydrochloride Salt; rac Desethyl Oxybutynin-d11 Hydrochloride
IUPAC Name	4-(ethylamino)but-2-ynyl 2-hydroxy-2-phenyl-2-(1,2,2,3,3,4,4,5,5,6,6-undecadeuteriocyclohexyl)acetate;hydrochloride
Related CAS	81039-77-2 (unlabelled) 1216666-48-6 (free base)
Isomeric SMILES	[2H]C1(C(C(C(C(C1([2H])[2H])([2H])[2H])([2H])C(C2=CC=CC=C2)(C(=O)OCC#CCNCC)O)([2H])[2H])([2H])[2H])[2H].Cl
Canonical SMILES	CCNCC#CCOC(=O)C(C1CCCCC1)(C2=CC=CC=C2)O.Cl
InChI	InChI=1S/C20H27NO3.ClH/c1-2-21-15-9-10-16-24-19(22)20(23,17-11-5-3-6-12-17)18-13-7-4-8-14-18;/h3,5-6,11-12,18,21,23H,2,4,7-8,13-16H2,1H3;1H/i4D2,7D2,8D2,13D2,14D2,18D;
InChI Key	DSWCYTSHCYXHGW-GXLPIGTQSA-N
Melting Point	121-123°C
Purity	95% atom D
Solubility	Soluble in Chloroform, Methanol, Water
Appearance	White to Light Tan Solid
Application	A labelled metabolite of the drug Oxybutynin (D289475). Used in the treatment of incontinence.
Storage	Store at -20°C

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