Description

Paraxanthine-D3 is a deuterated isotopologue of paraxanthine, a primary metabolite of caffeine. This stable isotope-labeled compound is essential for use as an internal standard in quantitative analytical methods, ensuring the highest accuracy and reliability in measurement. It is critically important for researchers and quality control laboratories in the pharmaceutical, clinical research, and forensic toxicology sectors who require precise quantification of paraxanthine in complex biological matrices.

Application

• Internal Standard for LC-MS/MS: Primary application as a deuterated internal standard for the precise quantification of paraxanthine and related xanthines in bioanalytical studies using liquid chromatography-tandem mass spectrometry.
• Pharmacokinetic and Metabolic Research: Enables accurate tracking of caffeine metabolism, absorption, distribution, and excretion in clinical and preclinical studies.
• Forensic and Clinical Toxicology: Used in assays to monitor caffeine and paraxanthine levels for overdose cases, doping control, or assessing metabolic function.
• Drug Development and Biomarker Analysis: Supports method development and validation for studies investigating paraxanthine as a potential biomarker for liver enzyme activity (CYP1A2).
• Certified Reference Material (CRM) Production: Serves as a key component in the preparation of certified reference materials for laboratory proficiency testing and method calibration.

Basic Information

Product Name	Paraxanthine-D3
CAS No.	65566-70-3
Molecular Formula	C7H4D3N4O2
Molecular Weight	181.18 g/mol
Synonyms	1,7-Dimethylxanthine-D3; 1,7-Dimethyl-3H-purine-2,6-dione-D3; 1,7-Dimethyluric acid-D3 (obsolete); Paraxanthine (methyl-D3); [2H3]-Paraxanthine; 1,7-Dimethyl-2,6-dioxopurine-D3; 3,7-Dihydro-1,7-dimethyl-3H-purine-2,6-dione-D3
EINECS	Contact for details

Quality Control

Our Paraxanthine-D3 is manufactured under strict quality protocols to ensure exceptional isotopic purity and chemical integrity, meeting the stringent requirements for analytical reference standards. Each batch is supported by a comprehensive Certificate of Analysis (COA) detailing results for isotopic enrichment (D, atom %), chemical purity (by HPLC), and identity confirmation (by NMR and MS). We adhere to relevant industry guidelines for stable isotope-labeled compounds.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry place at a controlled room temperature (15-25°C). This product is hygroscopic (moisture-sensitive); ensure the container is sealed tightly after each use to minimize exposure to atmospheric moisture. For long-term storage, consider desiccants.

Specification

Item	Specification
Appearance	White to off-white powder
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Purity (HPLC)	≥ 98.0%
Isotopic Purity (D, atom %)	≥ 98.0%
Isotopic Enrichment (MS)	≥ 98.0% D3
Water Content (KF)	≤ 1.0%
Residual Solvents (GC)	Complies with ICH limits

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