Chem
J-GLOBAL ID：200907025512316452   Nikkaji number：J367.208E

8-Oxotheobromine

3,7-ジメチル尿酸
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C7H8N4O3
Molecular formula furigana： C7-H8-N4-O3
Molecular weight： 196.166
InChI： InChI=1S/C7H8N4O3/c1-10-3-4(8-6(10)13)11(2)7(14)9-5(3)12/h1-2H3,(H,8,13)(H,9,12,14)
InChI key： HMLZLHKHNBLLJD-UHFFFAOYSA-N
SMILES： Cn1c(O)nc2n(C)c(=O)[nH]c(=O)c12
Systematic name  (7)：
  • 3,7-ジメチル-8-ヒドロキシキサンチン
  • 7,9-ジヒドロ-3,7-ジメチル-1H-プリン-2,6,8(3H)-トリオン
  • 3,7-ジメチル-1H-プリン-2,6,8(3H,7H,9H)-トリオン
  • 3,7-ジメチル-7H-プリン-2,6,8(1H,3H,9H)-トリオン
  • 8-ヒドロキシ-3,7-ジメチルキサンチン
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Other name (8)：
  • 7,9-Dihydro-3,7-dimethyl-1H-purine-2,6,8(3H)-trione
  • 3,7-Dimethyl-1H-purine-2,6,8(3H,7H,9H)-trione
  • 3,7-Dimethyl-7H-purine-2,6,8(1H,3H,9H)-trione
  • 8-オキソテオブロミン
  • 8-Oxotheobromine
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CAS registry number： 13087-49-5
KEGG COMPOUND： C16360
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