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Product Overview

Product Code

TRC-D436485

CAS Number

698358-10-0

Product Format

Neat

Molecular Formula

C23 H23 Cl2 N O8

Molecular Weight

512.34

API Family

Diclofenac

Product Categories

TRC, Impurity Reference Materials

Product Type

Impurity, Synthesis Tools

Documentation

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Product Information

Chemical Data

Analyte Name

Diclofenac Acyl-Beta-D-glucuronide Allyl Ester

CAS Number

698358-10-0

Molecular Formula

C23 H23 Cl2 N O8

Molecular Weight

512.34

Accurate Mass

511.0801

SMILES

O[C@@H]1[C@@H](O)[C@H](OC(=O)Cc2ccccc2Nc3c(Cl)cccc3Cl)O[C@@H]([C@H]1O)C(=O)OCC=C

InChI

InChI=1S/C23H23Cl2NO8/c1-2-10-32-22(31)21-19(29)18(28)20(30)23(34-21)33-16(27)11-12-6-3-4-9-15(12)26-17-13(24)7-5-8-14(17)25/h2-9,18-21,23,26,28-30H,1,10-11H2/t18-,19-,20+,21-,23+/m0/s1

IUPAC

prop-2-enyl (2S,3S,4S,5R,6S)-6-[2-[2-(2,6-dichloroanilino)phenyl]acetyl]oxy-3,4,5-trihydroxyoxane-2-carboxylate

Product Data

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Impurity

Product Format

Neat

API Family

Diclofenac

Product Description

An intermediate for the synthesis of Diclofenac’s glucuronide metaoblite.

References: Kenny, J.R., et al.: J. Med. Chem., 47, 2816 (2004),

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