CAS: 83-67-0

Nombre: theobromine

IUPAC: 3,7-dimethylpurine-2,6-dione

SMILES: Cn1cnc2c1c(=O)[nH]c(=O)n2C

Canonical SMILES: CN1C=NC2=C1C(=O)NC(=O)N2C

Fórmula molecular: C7H8N4O2

Masa molecular: 180.16

InChIKey: YAPQBXQYLJRXSA-UHFFFAOYSA-N

InChI: InChI=1S/C7H8N4O2/c1-10-3-8-5-4(10)6(12)9-7(13)11(5)2/h3H,1-2H3,(H,9,12,13)

PubChem CID: 5429 →

Sinónimos

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

Busqueda Extendida

Busqueda de Subestructura→Busqueda de Similitud→