Chem
J-GLOBAL ID：200907004219627381   Nikkaji number：J48.716C

7-(2-Aminoethyl)theophylline

7-(2-アミノエチル)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： C9H13N5O2
Molecular formula furigana： C9-H13-N5-O2
Molecular weight： 223.236
InChI： InChI=1S/C9H13N5O2/c1-12-7-6(8(15)13(2)9(12)16)14(4-3-10)5-11-7/h5H,3-4,10H2,1-2H3
InChI key： XUTQHTZFMFGXDJ-UHFFFAOYSA-N
SMILES： Cn1c2ncn(CCN)c2c(=O)n(C)c1=O
Systematic name  (5)：
  • 1,3-ジメチル-7-(2-アミノエチル)-3,7-ジヒドロ-1H-プリン-2,6-ジオン
  • 7-(2-アミノエチル)-1,3-ジメチルキサンチン
  • 7-(2-アミノエチル)-3,7-ジヒドロ-1,3-ジメチル-1H-プリン-2,6-ジオン
  • 7-(2-アミノエチル)-1,3-ジメチル-2,3,6,7-テトラヒドロ-1H-プリン-2,6-ジオン
  • 7-(2-aminoethyl)-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
Other name (3)：
  • 7-(2-アミノエチル)テオフィリン
  • 7-(2-Aminoethyl)theophylline
  • 7-(2-Aminoethyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione
CAS registry number： 35206-02-1
Regulation number (2)：
  • XH3940000
  • EINECS2524368
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