Chem
J-GLOBAL ID：200907035830091872   Nikkaji number：J3.507F

Trepibutone

トレピブトン
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： C16H22O6
Molecular formula furigana： C16-H22-O6
Molecular weight： 310.346
InChI： InChI=1S/C16H22O6/c1-4-20-13-10-15(22-6-3)14(21-5-2)9-11(13)12(17)7-8-16(18)19/h9-10H,4-8H2,1-3H3,(H,18,19)
InChI key： YPTFHLJNWSJXKG-UHFFFAOYSA-N
SMILES： CCOc1cc(OCC)c(cc1OCC)C(=O)CCC(=O)O
Systematic name  (5)：
  • 4-(2,4,5-トリエトキシフェニル)-4-オキソブタン酸
  • 3-(2,4,5-トリエトキシベンゾイル)プロピオン酸
  • 2,4,5-トリエトキシ-γ-オキソベンゼンブタン酸
  • 4-オキソ-4-(2,4,5-トリエトキシフェニル)ブタン酸
  • 4-oxo-4-(2,4,5-triethoxyphenyl)butanoic acid
Other name (7)：
  • トレピブトン
  • AA-149
  • Trepibutone
  • 3-(2,4,5-Triethoxybenzoyl)propionic acid
  • 4-(2,4,5-Triethoxyphenyl)-4-oxobutanoic acid
Show all
CAS registry number： 41826-92-0
Regulation number (2)：
  • 4-(4)-925
  • UF8440000
KEGG DRUG： D01365
Application (4)：
cholagogue ,  spasmolytic ,  gastrointestinal drug ,  pancreatic active agent
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