7-Methyl Xanthine

• CAT Number: R054422
• CAS Number: 552-62-5
• Molecular Formula: C6H6N4O2
• Molecular Weight: 166.14
• Purity: ≥95%
• Synonyms: Heteroxanthine; NSC 7861; 3,7-Dihydro-7-methyl-1H-purine-2,6-dione
• Storage: Desiccate at RT
• IUPAC Name: 7-methyl-3H-purine-2,6-dione
• InChI: InChI=1S/C6H6N4O2/c1-10-2-7-4-3(10)5(11)9-6(12)8-4/h2H,1H3,(H2,8,9,11,12)
• InChIKey: PFWLFWPASULGAN-UHFFFAOYSA-N
• SMILES: CN1C=NC2=C1C(=O)NC(=O)N2

7-Methyl xanthine, also known as theobromine, is a naturally occurring alkaloid found in cacao plants, tea leaves, and certain other foods. It is structurally similar to caffeine, featuring a methyl group at the seventh nitrogen atom of the xanthine core. 7-Methyl xanthine has stimulant properties, affecting the central nervous system, heart, and kidneys. It is used in pharmaceuticals for its mild diuretic, bronchodilator, and vasodilator effects, and it contributes to the flavor and physiological effects of chocolate.