3-Methylxanthine

3-Methylxanthine, a metabolite of theophylline, was quantitated in rat plasma by a sensitive LC-MS/MS method.

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Catalog Number CBB1114519
Alternative Name(s) 2,6-Dihydroxy-3-methylpurine
Molecular Formula C6H6N4O2
CAS# 1076-22-8
Purity >98%
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 GMSNIKWWOQHZGF-UHFFFAOYSA-N
SMILES CN1C(=O)NC(=O)c2[nH]cnc12
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