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Product Overview

Product Code

TRC-D489402

CAS Number

1329494-82-7

Product Format

Neat

Molecular Formula

C30 D4 H28 N2 O2 . H Cl

Molecular Weight

493.073

Product Categories

TRC, Stable isotopes

Product Type

Impurity, Stable Isotope Labelled

Unlabelled CAS Number

3810-80-8

Documentation

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Product Information

Chemical Data

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

Product Data

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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