dimethylxanthine theophylline 1,3-Dimethylxanthine 1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione 1,3-dimethyl-7H-purine-2,6-dione 180.065 180.16418 A dimethylxanthine having the two methyl groups located at positions 1 and 3. It is structurally similar to caffeine and is found in green and black tea. Beilstein:13463 C7H8N4O2 CAS:58-55-9 CHEBI:26940 CHEBI:28177 CHEBI:45950 CHEBI:9523 Cn1c2nc[nH]c2c(=O)n(C)c1=O DrugBank:DB00277 Drug_Central:2620 Elixophyllin Gmelin:51226 HMDB:HMDB0001889 InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9) KEGG:C07130 KEGG:D00371 KNApSAcK:C00001510 MetaCyc:CPD-12479 PDBeChem:TEP PMID:10796631 PMID:10836323 PMID:10893702 PMID:10921764 PMID:11126990 PMID:11170036 PMID:11200776 PMID:11261527 PMID:11408152 PMID:11826912 PMID:11848250 PMID:11941393 PMID:11949272 PMID:11950649 PMID:12531775 PMID:12836095 PMID:14517178 PMID:14713563 PMID:14988770 PMID:15005370 PMID:15042504 PMID:15202575 PMID:15317832 PMID:15356646 PMID:15483348 PMID:15739418 PMID:15829161 PMID:15902964 PMID:15908149 PMID:16083514 PMID:16651698 PMID:16930490 PMID:17130682 PMID:17207928 PMID:18307508 PMID:18800032 PMID:19559058 PMID:19727789 PMID:19845735 PMID:19888960 PMID:21467671 PMID:21796703 PMID:21834615 PMID:22377744 PMID:22541679 PMID:22541837 PMID:22702215 PMID:22770225 PMID:22771369 PMID:22836872 PMID:22909172 PMID:22915350 PMID:22981724 PMID:7302609 PMID:7389811 PMID:7656958 PMID:7767539 PMID:8730732 PMID:8960878 PMID:9256615 Reaxys:13463 Respbid THEOPHYLLINE Theo-Dur Theolair Theophyllin Theophylline Uniphyl Wikipedia:Theophylline ZFXYFBGIUFBOJW-UHFFFAOYSA-N chebi_ontology theophylline theophylline anhydrous