Product Code

TRC-D445404

Product Format

Neat

Molecular Formula

C28 H23 D5 N2 O2

Molecular Weight

429.57

Product Categories

TRC, Stable isotopes, Opiate and Opioid Reference Materials

Product Type

Stable Isotope Labelled, API

Unlabelled CAS Number

28782-42-5

Price and availability

48-hour USA dispatch time

Freight restricted.

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Product Information

Chemical Data

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

Product Data

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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