Description

n-Acetyl-S-(Trichlorovinyl)-L-Cysteine-D3 is a deuterium-labeled metabolite standard used primarily in quantitative bioanalytical research. It serves as a critical internal standard for the accurate measurement of trichloroethylene (TCE) and related haloalkene metabolites in biological matrices via LC-MS/MS. This compound enables high-precision pharmacokinetic, toxicokinetic, and biomonitoring studies—especially in occupational health, environmental toxicology, and regulatory safety assessment laboratories. Researchers and contract research organizations (CROs) requiring isotopically enriched reference materials for method validation and regulatory compliance rely on its exceptional isotopic purity and structural fidelity.

Application

• Internal standard for LC-MS/MS quantification of S-(trichlorovinyl)-L-cysteine and downstream mercapturic acid metabolites of trichloroethylene
• Reference material in GLP-compliant toxicokinetic studies evaluating TCE metabolism and bioactivation pathways
• Biomonitoring support for occupational exposure assessments in industrial hygiene laboratories
• Method development and validation for regulatory submissions to the FDA, EMA, and EPA
• Stable isotope dilution assay (SIDA) calibration in human and rodent urine, plasma, and tissue homogenates
• Metabolite identification and pathway elucidation in mechanistic toxicology research
• Quality control reference in certified reference material (CRM) production for environmental and clinical labs
• Supporting ISO/IEC 17025-accredited testing of volatile organic compound (VOC) metabolites

Basic Information

Product Name	n-Acetyl-S-(Trichlorovinyl)-L-Cysteine-D3
CAS No.	1346616-95-2
Molecular Formula	C8H5D3Cl3NO3S
Molecular Weight	332.50 g/mol
Synonyms	n-Acetyl-S-(trichlorovinyl)-L-cysteine-d3; Acetyl-S-(trichlorovinyl)-cysteine-d3; NAC-TVC-d3; S-(1,1,2-Trichlorovinyl)-N-acetyl-L-cysteine-d3; N-Acetyl-S-(1,1,2-trichloroetheny1)-L-cysteine-d3; N-Acetyl-S-(trichloroetheny1)-L-cysteine-d3; N-Acetyl-S-(trichlorovinyl)-L-cysteine-2,2,2-d3; 2-Acetamido-3-[(1,1,2-trichloroetheny1)sulfanyl]propanoic acid-d3
EINECS	Contact for details

Quality Control

Our products undergo rigorous quality testing to ensure compliance with industry standards. Each batch is verified for isotopic enrichment (>98% D at designated positions), chemical purity (≥98.5% by HPLC-UV), identity (IR, 1H/2H NMR, HRMS), and absence of critical impurities (residual solvents, heavy metals, and related degradants). Certificates of Analysis (COA) are available upon request and include full chromatograms, spectral data, and stability-indicating test results. All lots comply with ISO 9001 and are manufactured under controlled conditions aligned with ICH Q7 guidelines for reference standards.

Storage

Preserve in a tightly closed container, protected from light. Store at −20 °C under inert atmosphere (argon or nitrogen) to prevent degradation. Due to its hygroscopic nature, minimize exposure to ambient humidity during handling. Allow vial to equilibrate to room temperature in a desiccated environment before opening.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to reference spectrum
Identification (HRMS)	m/z calc. for C8H5D3Cl3NO3S [M+H]+: 332.8972; found within ±5 ppm
Assay (HPLC-UV)	≥98.5%
Isotopic Purity (D-incorporation)	≥98% at methyl position (confirmed by 2H NMR)
Residual Solvents (GC)	Meets ICH Q3C Class 3 limits
Water Content (KF)	≤0.5%
Heavy Metals (ICP-MS)	≤10 ppm

Note: Specifications can be tailored. Please contact us for the detailed technical data sheet of a specific grade.