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Chem
J-GLOBAL ID：200907064180837475   Nikkaji number：J2.330B

Caffeine

カフェイン
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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： C8H10N4O2
Molecular formula furigana： C8-H10-N4-O2
Molecular weight： 194.194
InChI： InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3
InChI key： RYYVLZVUVIJVGH-UHFFFAOYSA-N
SMILES： Cn1cnc2n(C)c(=O)n(C)c(=O)c12
Systematic name  (10)：
  • 7-メチルテオフィリン
  • 1,3,7-トリメチル-1H-プリン-2,6(3H,7H)-ジオン
  • 1,3,7-トリメチル-7H-プリン-2,6(1H,3H)-ジオン
  • 1,3,7-トリメチルキサンチン
  • 3,7-ジヒドロ-1,3,7-トリメチル-1H-プリン-2,6-ジオン
Show all
Other name (22)：
  • テイン
  • カフェイン
  • コフェイン
  • グアラニン
  • Theine
Show all
CAS registry number： 58-08-2
Regulation number (5)：
  • EV6475000
  • (9)-419
  • EINECS2003621
  • TSCA(58-08-2)
  • UN-1544
KEGG DRUG： D00528
KEGG COMPOUND： C07481
Application (4)：
central nervous system stimulant ,  cardiotonic ,  metabolite ,  diuretic
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