1-(3-Carboxypropyl)-3,7-dimethylxanthine

CAS: 6493-07-8

Ref. TR-C181235

Product Information

• Name: 1-(3-Carboxypropyl)-3,7-dimethylxanthine
• Synonyms: 1H-Purine-1-butanoic acid, 2,3,6,7-tetrahydro-3,7-dimethyl-2,6-dioxo-, Purine-1(2H)-butyric acid, 3,6-dihydro-3,7-dimethyl-2,6-dioxo- (7CI,8CI), 2,3,6,7-Tetrahydro-3,7-dimethyl-2,6-dioxo-1H-purine-1-butanoic acid, 1-(3-Carboxypropyl)3,7-dimethylxantine, 1-(3-Carboxypropyl)theobromine, 3,7-Dimethyl-1-(3-carboxypropyl)xanthine, C 21187
• Brand: TRC
• Description: Applications A metabolite of Pentoxifylline (P276500).References Yamaoka, K., et al.: J. Pharmacokin. Biopharm., 6, 165 (1978), Cottam, H.B., et al.: J. Med. Chem., 39, 2 (1996), Janvilisri, T., et al.: J. Biol. Chem., 278, 20645 (2003),

Chemical properties

• Molecular weight: 266.25
• Formula: C₁₁H₁₄N₄O₄
• Color/Form: Neat
• InChI: InChI=1S/C11H14N4O4/c1-13-6-12-9-8(13)10(18)15(11(19)14(9)2)5-3-4-7(16)17/h6H,3-5H2,1-2H3,(H,16,17)
• InChI key: InChIKey=WKASGTGXOGALBG-UHFFFAOYSA-N
• SMILES: Cn1cnc2c1c(=O)n(CCCC(=O)O)c(=O)n2C