Analyte Name

Difenoxin-d4

CAS Number

72188-32-0

Molecular Formula

C28H24D4N2O2

Molecular Weight

428.56

Accurate Mass

428.24

SMILES

[2H]C([2H])(N1CCC(C(O)=O)(CC1)C2=CC=CC=C2)C([2H])(C(C#N)(C3=CC=CC=C3)C4=CC=CC=C4)[2H]

InChI

InChI=1S/C28H28N2O2/c29-22-28(24-12-6-2-7-13-24,25-14-8-3-9-15-25)18-21-30-19-16-27(17-20-30,26(31)32)23-10-4-1-5-11-23/h1-15H,16-21H2,(H,31,32)/i18D2,21D2

IUPAC

1-(3-cyano-3,3-diphenylpropyl-1,1,2,2-d4)-4-phenylpiperidine-4-carboxylic acid

Unlabelled CAS Number

28782-42-5

SIL Type

Deuterium

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled; Impurity

Product Format

Neat