METLIN ID 1455
Mass 194.080375584   
Name Caffeine
Synonym 1,3,7-Trimethylxanthine; 7-methyl Theophylline; Thein; 1-methyl-Theobromine; Methylxanthine theophylline; 1,3,7-Trimethyl-3,7-dihydro-1H-purine-2,6-dione; Lanorinal; 1,3,7-Trimethyl-2,6-dioxopurine; 3,7-Dihydro-1,3,7-trimethyl-1H-purine-2,6-dione; Methyltheobromide; Guaranine; Anhydrous caffeine (JP15); Monohydrate Caffeine
Systematic Name 1,3,7-trimethylpurine-2,6-dione
Formula C8H10N4O2
CAS 58-08-2
Purchase Option Sigma-Aldrich: C1778Sigma-AldrichChromadex: ASB-00003032-010 Chromadex
LMID
KEGG C07481
HMDB HMDB01847
PubChem 2519
Notes naturally occurring alkaloid Dollery, Colin Therapeutic Drugs, 2nd Ed. 1999 p. C4
Drug N
Structure 1455
Spectrum