Chem
J-GLOBAL ID：200907064788088068   Nikkaji number：J1.158.692I

3-(1-Ethylpropylamino)-4-[2-oxo-5,5-bis(hydroxymethyl)pyrrolizino]benzoic acid

3-(1-エチルプロピルアミノ)-4-[2-オキソ-5,5-ビス(ヒドロキシメチル)ピロリジノ]安息香酸
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： C18H26N2O5
Molecular formula furigana： C18-H26-N2-O5
Molecular weight： 350.415
InChI： InChI=1S/C18H26N2O5/c1-3-13(4-2)19-14-9-12(17(24)25)5-6-15(14)20-16(23)7-8-18(20,10-21)11-22/h5-6,9,13,19,21-22H,3-4,7-8,10-11H2,1-2H3,(H,24,25)
InChI key： BNIJJJRESBVRNB-UHFFFAOYSA-N
SMILES： CCC(CC)Nc1cc(ccc1N1C(=O)CCC1(CO)CO)C(=O)O
Systematic name  (4)：
  • 3-[(1-エチルプロピル)アミノ]-4-[2-オキソ-5,5-ビス(ヒドロキシメチル)ピロリジノ]安息香酸
  • 3-(1-エチルプロピルアミノ)-4-[2-オキソ-5,5-ビス(ヒドロキシメチル)ピロリジノ]安息香酸
  • 4-[2,2-ビス(ヒドロキシメチル)-5-オキソピロリジン-1-イル]-3-[(ペンタン-3-イル)アミノ]安息香酸
  • 4-[2,2-bis(hydroxymethyl)-5-oxopyrrolidin-1-yl]-3-[(pentan-3-yl)amino]benzoic acid
Other name (2)：
  • 3-[(1-Ethylpropyl)amino]-4-[2-oxo-5,5-bis(hydroxymethyl)pyrrolizino]benzoic acid
  • 3-(1-Ethylpropylamino)-4-[2-oxo-5,5-bis(hydroxymethyl)pyrrolizino]benzoic acid
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