Description

6-Chloro-3,4-Dihydro-4-Methyl-3-Oxo-2H-1,4-Benzoxazine-8-Carboxylic Acid-D3 Methyl Ester is a high-purity, deuterium-labeled chemical building block of significant importance in advanced research and development. Its core value lies in its utility as a stable isotope-labeled internal standard, which is critical for ensuring the accuracy and reliability of quantitative analytical methods. This compound is primarily needed by pharmaceutical R&D teams, analytical laboratories, and contract research organizations (CROs) engaged in method development, pharmacokinetic studies, and metabolite identification for novel drug candidates.

Application

• Internal Standard for LC-MS/MS: Serves as a critical, non-interfering reference compound for the precise quantification of its non-deuterated counterpart in complex biological matrices like plasma, serum, and urine.
• Pharmaceutical Research & Development: Used in drug metabolism and pharmacokinetics (DMPK) studies to track the absorption, distribution, metabolism, and excretion (ADME) of lead compounds.
• Bioanalytical Method Development: Essential for developing and validating robust, sensitive, and specific analytical methods in compliance with regulatory guidelines (e.g., FDA, EMA).
• Metabolite Identification and Profiling: Aids in distinguishing drug-derived metabolites from endogenous compounds in mass spectrometry-based assays.
• Isotope Dilution Mass Spectrometry (IDMS): Employed in this gold-standard technique to achieve high levels of accuracy and precision in quantitative analysis.
• Chemical Reference Standard: Acts as a certified reference material (CRM) for quality control and assurance in analytical laboratories.

Basic Information

Product Name	6-Chloro-3,4-Dihydro-4-Methyl-3-Oxo-2H-1,4-Benzoxazine-8-Carboxylic Acid-D3 Methyl Ester
CAS No.	1795029-57-0
Molecular Formula	C11H6D3ClNO4
Molecular Weight	257.68 g/mol (for deuterated form)
Synonyms	Methyl 6-chloro-4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-8-carboxylate-d3; 6-Chloro-4-methyl-3-oxo-3,4-dihydro-2H-benzo[b][1,4]oxazine-8-carboxylic Acid Methyl Ester-d3; Deuterated Benzoxazine Carboxylate Ester; 1,4-Benzoxazine-8-carboxylic Acid-d3 Derivative; Internal Standard for Benzoxazine Analytics; [D3]-Methyl 6-chloro-4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-8-carboxylate
EINECS	Contact for details

Quality Control

Our deuterated compounds are manufactured under strict quality control protocols to ensure exceptional isotopic purity and chemical integrity, which are non-negotiable for analytical applications. Each batch is characterized using advanced techniques including NMR (¹H, ¹³C) and High-Resolution Mass Spectrometry (HRMS) to confirm structure and isotopic enrichment. Certificates of Analysis (COA) are provided, detailing key parameters such as chemical purity (by HPLC), isotopic purity (D-enrichment %), and specific analytical data. We support compliance with GMP/GLP principles for research use.

Storage

Preserve in a tightly closed container, protected from light. Store at controlled room temperature (15-25°C) in a dry, well-ventilated area. Keep the container sealed to prevent moisture absorption and contamination.

Specification

Item	Specification
Appearance	White to off-white solid
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Purity (HPLC)	≥ 98.0%
Isotopic Purity (D-enrichment)	≥ 98 atom % D
Chemical Purity (by NMR)	≥ 97%
Water Content (KF)	≤ 0.5%
Residual Solvents (GC)	Complies with ICH guidelines

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