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Product Overview

Product Code

TRC-A168322

CAS Number

93968-79-7

Product Format

Neat

Molecular Formula

C9 2H3 H6 N O4

Molecular Weight

198.19

API Family

Mesalamine, Mesalazine

Product Categories

TRC, Drug derivatives & metabolites, Stable isotopes, Stable Isotope Labelled Analytical Standards, Pharmaceutical Toxicology Reference Materials , Impurity Reference Materials

Product Type

Stable Isotope Labelled, Impurity, Metabolite

Unlabelled CAS Number

51-59-2

Drug Type

NSAIDs

Documentation

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Product Information

Chemical Data

Analyte Name

N-Acetyl Mesalazine methyl-d3

CAS Number

93968-79-7

Molecular Formula

C9 2H3 H6 N O4

Molecular Weight

198.19

Accurate Mass

198.072

SMILES

[2H]C([2H])([2H])C(=O)Nc1ccc(O)c(c1)C(=O)O

InChI

InChI=1S/C9H9NO4/c1-5(11)10-6-2-3-8(12)7(4-6)9(13)14/h2-4,12H,1H3,(H,10,11)(H,13,14)/i1D3

IUPAC

2-hydroxy-5-[(2,2,2-trideuterioacetyl)amino]benzoic acid

Unlabelled CAS Number

51-59-2

SIL Type

Deuterium

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Metabolite; Stable Isotope Labelled

Product Format

Neat

API Family

Mesalamine; Mesalazine

Product Description

A labelled metabolite of Mesalazine. A labelled Salicylic Acid derivative. Inhibitor of recombinant human thiopurine methyltransferase (hTPMT).

References: Bondesen, S., et al.: Br. J. Clin. Pharmacol., 25, 269 (1988),

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