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Product Overview

Product Code

TRC-A173585

CAS Number

2148-31-4

Product Format

Neat

Molecular Formula

C7H9Cl2NO3S

Molecular Weight

258.12

Product Categories

TRC, Additional endogenous metabolites, Pharmaceutical Toxicology Reference Materials , API Reference Standards & Research Materials

Product Type

Impurity, Metabolite, API

Purity

>95% (HPLC)

Documentation

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Product Information

Chemical Data

Analyte Name

N-Acetyl-S-(1,2-dichloroethenyl)-L-cysteine

CAS Number

2148-31-4

Molecular Formula

C7H9Cl2NO3S

Molecular Weight

258.12

Accurate Mass

256.968

SMILES

Cl/C=C(Cl)/SC[C@H](NC(C)=O)C(O)=O

InChI

InChI=1S/C7H9Cl2NO3S/c1-4(11)10-5(7(12)13)3-14-6(9)2-8/h2,5H,3H2,1H3,(H,10,11)(H,12,13)/b6-2+/t5-/m0/s1

IUPAC

(2R)-2-acetamido-3-[(Z)-1,2-dichloroethenyl]sulfanylpropanoic acid

Product Data

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Metabolite; Impurity

Product Format

Neat

Purity

>95% (HPLC)

Product Description

Trichloroethylene metabolite

References: Werner, M., et al.: Chem. Res. Toxicol., 9, 41 (1996), Bruning, T., et al.: Toxicol. Sci., 41, 157 (1998), Newman, D., et al.: Drug Metab. Disposition, 35, 43 (2007),

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