3-Methylxanthine

CAS: 1076-22-8

Ref. TR-M338570

Product Information

• Name: 3-Methylxanthine
• Synonyms: Theophylline Imp. B (EP), 3-Methyl-3,7-dihydro-1H-purine-2,6-dione, 3-Methylxanthine,Theophylline-Ethylenediamine Imp. B (EP), Pentoxifylline Imp. B (EP), 1H-Purine-2,6-dione, 3,7-dihydro-3-methyl- (9CI), Xanthine, 3-methyl- (6CI,7CI,8CI), 3,9-Dihydro-3-methyl-1H-purine-2,6-dione, 3-Methyl-1H-purine-2,6(3H,7H)-dione, 3-Methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione, 3-Methyl-2,3,6,9-tetrahydro-1H-purine-2,6-dione, 3-Methyl-3,7-dihydropurine-2,6-dione, 3-Methyl-3,9-dihydro-purine-2,6-dione, 3-Methyl-7H-purine-2,6-dione, NSC 515466, 1H-Purine-2,6-dione
• Brand: TRC
• Description: Impurity Pentoxifylline EP Impurity BApplications 3-Methylxanthine (Pentoxifylline EP Impurity B) is a metabolite of Theophylline (58-55-9), which is a Xanthine (X499950) derivative with diuretic, cardiac stimulant and smooth muscle relaxant activities; isomeric with theobromine.They can also act as Bronchodilator.References Cohen, J.L., et al.: Anal. Profiles Drug Subs., 4, 466 (1975); Svedmyr, K., et al.: Allergy, 37, 111 (1982)

Chemical properties

• Molecular weight: 166.14
• Formula: C₆H₆N₄O₂
• Color/Form: Beige
• InChI: InChI=1S/C6H6N4O2/c1-10-4-3(7-2-8-4)5(11)9-6(10)12/h2H,1H3,(H,7,8)(H,9,11,12)
• InChI key: InChIKey=GMSNIKWWOQHZGF-UHFFFAOYSA-N
• SMILES: Cn1c(=O)[nH]c(=O)c2[nH]cnc21