Theobromine-d6

• CAT Number: S000365
• CAS Number: 117490-40-1
• Molecular Formula: C7H2D6N4O2
• Molecular Weight: 186.20
• Purity: ≥95%
• IUPAC Name: 3,7-bis(trideuteriomethyl)purine-2,6-dione
• InChI: InChI=1S/C7H8N4O2/c1-10-3-8-5-4(10)6(12)9-7(13)11(5)2/h3H,1-2H3,(H,9,12,13)/i1D3,2D3
• InChIKey: YAPQBXQYLJRXSA-WFGJKAKNSA-N
• SMILES: CN1C=NC2=C1C(=O)NC(=O)N2C

Theobromine-d6（Cat No.:S000365） is a deuterated version of theobromine, where six hydrogen atoms are replaced with deuterium. Theobromine is a natural compound found in cocoa beans and chocolate, known for its mild stimulant effects similar to caffeine. By incorporating deuterium, scientists can explore theobromine’s metabolic pathways and its pharmacokinetics with greater precision. This isotope labeling allows for accurate tracing of theobromine in biological systems, aiding studies on its bioavailability, metabolism, and potential therapeutic applications, such as its role in mood enhancement and cardiovascular health.