Analyte Name

Difenoxin-d5

Molecular Formula

C28 H23 D5 N2 O2

Molecular Weight

429.57

Accurate Mass

429.2465

SMILES

[2H]C1=C([2H])C([2H])=C([2H])C([2H])=C1C(C2=CC=CC=C2)(C#N)CCN(CC3)CCC3(C(O)=O)C4=CC=CC=C4

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)/i2D,6D,7D,12D,13D

IUPAC

1-(3-cyano-3-phenyl-3-(phenyl-d5)propyl)-4-phenylpiperidine-4-carboxylic acid

Unlabelled CAS Number

28782-42-5

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat