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Product Overview

Product Code

TRC-A173582

CAS Number

1795787-09-5

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 , API Reference Standards & Research Materials

Product Type

Stable Isotope Labelled, Metabolite, API

Unlabelled CAS Number

126543-43-9

Documentation

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Product Information

Chemical Data

Analyte Name

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

CAS Number

1795787-09-5

Molecular Formula

C613CH6D3Cl2NO3S

Molecular Weight

262.13

SMILES

O=[13C](C([2H])([2H])[2H])N[C@H](C(O)=O)CS/C=C(Cl)/Cl

InChI

InChI=1S/C7H9Cl2NO3S/c1-4(11)10-5(7(12)13)2-14-3-6(8)9/h3,5H,2H2,1H3,(H,10,11)(H,12,13)/t5-/m0/s1/i1D3,4+1

IUPAC

(2R)-3-(2,2-dichloroethenylsulfanyl)-2-[(2,2,2-trideuterioacetyl)amino]propanoic acid

Unlabelled CAS Number

126543-43-9

SIL Type

Deuterium, Carbon

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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