Description

Caffeine-D3 is a stable isotope-labeled analog of caffeine, where three hydrogen atoms are replaced by deuterium at the 1, 3, and 7 positions of the xanthine core. This precise labeling makes it an indispensable internal standard for quantitative mass spectrometry and other analytical techniques, ensuring accuracy and reliability in complex sample matrices. It is primarily required by pharmaceutical research laboratories, contract research organizations (CROs), and analytical testing facilities for method development, pharmacokinetic studies, and quality control of caffeine-containing products.

Application

• Internal Standard for LC-MS/MS and GC-MS: Used for the precise quantification of caffeine and its metabolites in biological fluids (plasma, urine) for clinical and toxicological studies.
• Pharmaceutical Research & Drug Metabolism: Critical in Absorption, Distribution, Metabolism, and Excretion (ADME) studies and pharmacokinetic profiling of new drug candidates.
• Forensic and Doping Control Analysis: Ensures accurate measurement of caffeine levels in anti-doping tests and forensic toxicology reports.
• Food & Beverage Analysis: Employed in the accurate determination of caffeine content in energy drinks, coffee, tea, and other consumables for regulatory compliance.
• Method Development and Validation: Serves as a key reference material for developing and validating robust analytical methods in compliance with ICH and FDA guidelines.
• Environmental Monitoring: Can be used as a tracer in studies investigating the environmental fate and transport of stimulant compounds.

Basic Information

Product Name	Caffeine-D3
CAS No.	26351-04-2
Molecular Formula	C8H7D3N4O2
Molecular Weight	197.21 g/mol
Synonyms	1,3,7-Trimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purine-8-d3; Caffeine (methyl-d3); 1,3,7-Trimethylxanthine-d3; 3,7-Dihydro-1,3,7-trimethyl-1H-purine-2,6-dione-d3; Theine-d3; Guaranine-d3; Mateine-d3; [2H3]-Caffeine
EINECS	Contact for details

Quality Control

Our Caffeine-D3 is produced under strict quality management systems. Each batch undergoes rigorous analytical testing, including NMR and mass spectrometry for isotopic purity and HPLC for chemical purity. We provide comprehensive Certificates of Analysis (COA) detailing isotopic enrichment, chemical purity, and residual solvent content to support your regulatory and research requirements.

Storage

Preserve in a tightly closed container, protected from light. Store at controlled room temperature (15-25°C) in a dry environment. For long-term stability, consider storage at 2-8°C.

Specification

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

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