CAS: 83-67-0
Name: theobromine
IUPAC: 3,7-dimethylpurine-2,6-dione
SMILES:
Cn1cnc2c1c(=O)[nH]c(=O)n2CMolecular formula: C7H8N4O2
Molecular weight: 180.16
InChIKey: YAPQBXQYLJRXSA-UHFFFAOYSA-N
PubChem CID: 5429 →Synonyms
theobromine83-67-03,7-DimethylxanthineDiurobromineTheosalvoseSantheoseTeobrominTheostene3,7-Dimethyl-3,7-dihydro-1H-purine-2,6-dioneThesal3,7-dimethylpurine-2,6-dioneXantheose3,7-Dihydro-3,7-dimethyl-1H-purine-2,6-dioneFEMA No. 3591Theobrominum1H-Purine-2,6-dione, 3,7-dihydro-3,7-dimethyl-SC 15090DTXSID90261323,7-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dioneNSC-5039OBD445WZ5PSC-15090CHEBI:28946DTXCID506132RefChem:6504201-494-2ThesodateTheobrominXanthine, 3,7-dimethyl-2,6-Dihydroxy-3,7-dimethylpurine