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Product Overview

Product Code

TRC-A173587

Product Format

Neat

Molecular Formula

C613CH6D3Cl2NO3S

Molecular Weight

262.13

Product Categories

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

Product Type

Stable Isotope Labelled, Metabolite

Unlabelled CAS Number

2148-31-4

Documentation

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Product Information

Chemical Data

Analyte Name

N-Acetyl-S-(1,2-dichloroethenyl)-L-cysteine-13C,d3

Molecular Formula

C613CH6D3Cl2NO3S

Molecular Weight

262.13

SMILES

Cl/C=C(Cl)/SC[C@H](N[13C](C([2H])([2H])[2H])=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/i1D3,4+1

IUPAC

(2R)-3-[(Z)-1,2-dichloroethenyl]sulfanyl-2-[(2,2,2-trideuterioacetyl)amino]propanoic acid

Unlabelled CAS Number

2148-31-4

SIL Type

Carbon, Deuterium

Product Data

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Metabolite; Stable Isotope Labelled

Product Format

Neat

Product Description

Labelled 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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