8-Bromo-3-methyl-7-(2-butynyl)-xanthine

8-Bromo-3-methyl-7-(2-butynyl)-xanthine

• Synonyms: Linagliptin Related Compound A, 8-bromo-7-(but-2-yn-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione
• CAS Number: 666816-98-4
• Hazard Statement: Harmful if swallowed.
• Purity: >95% (HPLC)
• Smiles: CC#CCn1c(Br)nc2N(C)C(=O)NC(=O)c12
• Molecular Formula: C10 H9 Br N4 O2
• Molecular Weight: 297.108
• InChI: InChI=1S/C10H9BrN4O2/c1-3-4-5-15-6-7(12-9(15)11)14(2)10(17)13-8(6)16/h5H2,1-2H3,(H,13,16,17)
• Additionnal Information: IUPAC name: 8-bromo-7-but-2-ynyl-3-methylpurine-2,6-dione
• Shipping Conditions: Room Temperature
• Storage Conditions: -20°C