Analyte Name

Diphenoxylate-d4 Hydrochloride

CAS Number

1329494-82-7

Molecular Formula

C30 D4 H28 N2 O2 . H Cl

Molecular Weight

493.073

Accurate Mass

492.248

SMILES

Cl.[2H]C([2H])(N1CCC(CC1)(C(=O)OCC)c2ccccc2)C([2H])([2H])C(C#N)(c3ccccc3)c4ccccc4

InChI

InChI=1S/C30H32N2O2.ClH/c1-2-34-28(33)29(25-12-6-3-7-13-25)18-21-32(22-19-29)23-20-30(24-31,26-14-8-4-9-15-26)27-16-10-5-11-17-27;/h3-17H,2,18-23H2,1H3;1H/i20D2,23D2;

IUPAC

ethyl 1-(3-cyano-1,1,2,2-tetradeuterio-3,3-diphenylpropyl)-4-phenylpiperidine-4-carboxylate;hydrochloride

Unlabelled CAS Number

3810-80-8

SIL Type

Deuterium

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat