Description

Theobromine-D3 (7-Methyl-D3) is a stable isotope-labeled analog of the natural alkaloid theobromine, specifically deuterated at the 7-methyl position. This high-purity compound is essential for use as an internal standard in quantitative mass spectrometry, ensuring accurate and reliable analytical results. It is primarily utilized by research scientists and quality control laboratories in the pharmaceutical, nutraceutical, and food/beverage industries for method development, pharmacokinetic studies, and metabolic research.

Application

• Internal Standard for LC-MS/MS and GC-MS analysis of theobromine and related methylxanthines.
• Quantitative Bioanalysis in pharmacokinetic and bioavailability studies for drug development.
• Metabolic Pathway Tracing to investigate the metabolism and distribution of theobromine in biological systems.
• Food & Beverage Testing for accurate quantification of theobromine content in products like chocolate, tea, and energy drinks.
• Nutraceutical & Dietary Supplement Analysis to verify label claims and ensure product quality.
• Clinical Research for studying the physiological effects and biomarker validation related to theobromine intake.
• Reference Material for calibrating analytical instruments and validating testing methodologies.

Basic Information

Product Name	Theobromine-D3 (7-Methyl-D3)
CAS No.	65566-69-0
Molecular Formula	C7H5D3N4O2
Molecular Weight	183.18 g/mol
Synonyms	3,7-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7-(methyl-d3)purine; 3,7-Dihydro-3,7-dimethyl-1H-purine-2,6-dione-7-methyl-d3; Theobromine-7-methyl-d3; Theobromine (methyl-d3); Deuterated Theobromine; [2H3]-Theobromine; d3-Theobromine
EINECS	Contact for details

Quality Control

Our Theobromine-D3 (7-Methyl-D3) is manufactured under strict quality control protocols to ensure the highest isotopic and chemical purity required for analytical applications. Each batch is supported by a comprehensive Certificate of Analysis (COA) detailing isotopic enrichment (D%), chemical purity (by HPLC), and confirmation of structure (by NMR and MS). We adhere to cGMP principles for research chemicals, ensuring batch-to-batch consistency and traceability.

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 (store away from light).

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Identification (MS)	Conforms to structure
Purity (HPLC)	≥ 98.0%
Isotopic Enrichment	≥ 98 atom % D
Chemical Purity (by NMR)	Conforms
Residual Solvents (GC)	Meets ICH guidelines

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