Description

8-Chlorotheophylline-D6 is a stable isotope-labeled analog of 8-chlorotheophylline, where six hydrogen atoms are replaced by deuterium. This compound is of critical importance as a high-purity internal standard for quantitative mass spectrometry, ensuring analytical accuracy and reliability in complex matrices. It is primarily needed by pharmaceutical research and development laboratories, contract research organizations (CROs), and analytical service providers for pharmacokinetic studies, drug metabolism research, and quality control of active pharmaceutical ingredients (APIs).

Application

• Internal Standard for LC-MS/MS: Essential for the precise quantification of 8-chlorotheophylline and related compounds in bioanalytical methods.
• Pharmaceutical R&D: Used in drug metabolism and pharmacokinetics (DMPK) studies to track the fate of the parent molecule.
• Metabolite Identification: Aids in the detection and structural elucidation of drug metabolites in biological samples.
• Method Development and Validation: Critical for establishing robust, accurate, and reproducible analytical protocols in compliance with GLP/GMP.
• Impurity Profiling: Used as a reference standard to identify and quantify process-related impurities or degradation products in API batches.
• Clinical Research: Supports therapeutic drug monitoring and bioavailability/bioequivalence studies.

Basic Information

Product Name	8-Chlorotheophylline-D6
CAS No.	1346598-95-5
Molecular Formula	C7H1D6ClN4O2
Molecular Weight	217.66 g/mol (for deuterated form)
Synonyms	8-Chloro-1,3-dimethyl-2,6-dioxo-7H-purine-7-d6; 8-Chloro-1,3-dimethyl-2,6(1H,3H)-purinedione-d6; 8-Chlorotheophylline (hexadeuterated); 1,3-Dimethyl-8-chloroxanthine-d6; Deuteronated 8-Chlorotheophylline; 8-Chloro-1,3-dimethylxanthine-d6; Stable Isotope Labeled 8-Chlorotheophylline
EINECS	Contact for details

Quality Control

Our 8-Chlorotheophylline-D6 is manufactured under strict quality systems to ensure the highest isotopic purity and chemical integrity required for analytical applications. Each batch is accompanied by a comprehensive Certificate of Analysis (COA) detailing parameters such as isotopic purity (D-enrichment), chemical purity (by HPLC), and confirmation of structure (by NMR and MS). We adhere to relevant industry standards for reference materials, and our quality commitment supports compliance in regulated environments.

Storage

Preserve in a tightly closed container, protected from light. Store at controlled room temperature (15-25°C) in a dry environment. The product is light-sensitive and should be handled accordingly to maintain stability.

Specification

Item	Specification
Appearance	White to off-white powder
Identification (IR)	Conforms to reference spectrum
Identification (NMR)	Conforms to structure
Purity (HPLC)	≥ 98.0%
Isotopic Purity (D-enrichment)	≥ 98.0 atom % D
Water Content (KF)	≤ 0.5%
Residue on Ignition	≤ 0.1%

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