rac Desethyl Oxybutynin-d11 Hydrochloride

Analyte Name

Desethyl Oxybutynin-d11 Hydrochloride

CAS Number

1216405-15-0

Molecular Formula

C20 D11 H16 N O3 . H Cl

Molecular Weight

376.96

Accurate Mass

376.2448

SMILES

Cl.[2H]C1([2H])C([2H])([2H])C([2H])([2H])C([2H])(C(O)(C(=O)OCC#CCNCC)c2ccccc2)C([2H])([2H])C1([2H])[2H]

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;

IUPAC

4-(ethylamino)but-2-ynyl 2-hydroxy-2-phenyl-2-(1,2,2,3,3,4,4,5,5,6,6-undecadeuteriocyclohexyl)acetate;hydrochloride

Alternate CAS Number

Free base: 1216666-48-6

Unlabelled CAS Number

81039-77-2

SIL Type

Deuterium

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Metabolite; Stable Isotope Labelled

Product Format

Neat

API Family

Oxybutynin

Purity

>95% (HPLC)