Chem
J-GLOBAL ID：200907002581744962   Nikkaji number：J1.330.907H

(8-3H)Theophyline

(8-3H)テオフィリン
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： C7H7[3H]N4O2
Molecular formula furigana： C7-H8-N4-O2
Molecular weight： 182.175
InChI： InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9)/i3T
InChI key： ZFXYFBGIUFBOJW-WJULDGBESA-N
SMILES： c1([3H])nc2n(C)c(=O)n(C)c(=O)c2[nH]1
Systematic name  (3)：
  • (8-3H)テオフィリン
  • 1,3-ジメチル-2,3,6,7-テトラヒドロ(8-3H)-1H-プリン-2,6-ジオン
  • 1,3-dimethyl-2,3,6,7-tetrahydro(8-3H)-1H-purine-2,6-dione
Other name (1)：
  • (8-3H)Theophyline
Thsaurus map：
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