Chem
J-GLOBAL ID：200907033959974816   Nikkaji number：J4.911E

8-Chlorotheophylline

8-クロロテオフィリン
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： C7H7ClN4O2
Molecular formula furigana： C7-H7-CL-N4-O2
Molecular weight： 214.610
InChI： InChI=1S/C7H7ClN4O2/c1-11-4-3(9-6(8)10-4)5(13)12(2)7(11)14/h1-2H3,(H,9,10)
InChI key： RYIGNEOBDRVTHA-UHFFFAOYSA-N
SMILES： Cn1c2nc(Cl)[nH]c2c(=O)n(C)c1=O
Systematic name  (9)：
  • 8-クロロテオフィリン
  • 8-クロロ-1,2,3,6-テトラヒドロ-1,3-ジメチル-7H-プリン-2,6-ジオン
  • 8-クロロ-3,7-ジヒドロ-1,3-ジメチル-1H-プリン-2,6-ジオン
  • 1,3-ジメチル-8-クロロキサンチン
  • 1,3-ジメチル-8-クロロ-9H-プリン-2,6(1H,3H)-ジオン
Show all
Other name (7)：
  • 8-Chlorotheophylline
  • 8-Chloro-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione
  • 8-Chloro-1,2,3,6-tetrahydro-1,3-dimethyl-7H-purine-2,6-dione
  • 1,3-Dimethyl-8-chloroxanthine
  • 1,3-Dimethyl-8-chloro-9H-purine-2,6(1H,3H)-dione
Show all
CAS registry number： 85-18-7
Regulation number (4)：
  • (9)-379
  • 8-(2)-812
  • 8-(2)-815
  • EINECS2015904
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