Chem
J-GLOBAL ID：200907003554383105   Nikkaji number：J881.531C

12-Ethyl-7-[(S)-1-carboxylato-1-hydroxypropyl]-2-hydroxy-8-(hydroxymethyl)indolizino[1,2-b]quinoline-9(11H)-one

12-エチル-7-[(S)-1-カルボキシラト-1-ヒドロキシプロピル]-2-ヒドロキシ-8-(ヒドロキシメチル)インドリジノ[1,2-b]キノリン-9(11H)-オン
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： C22H21N2O5[O-]
Molecular formula furigana： C22-H21-N2-O6
Molecular weight： 409.419
InChI： InChI=1S/C22H22N2O6/c1-3-12-13-7-11(26)5-6-17(13)23-19-14(12)9-24-18(19)8-16(15(10-25)20(24)27)22(30,4-2)21(28)29/h5-8,25-26,30H,3-4,9-10H2,1-2H3,(H,28,29)/p-1/t22-/m0/s1
InChI key： IRKZFHZUIBLGKU-QFIPXVFZSA-M
SMILES： CCc1c2Cn3c(cc(c(CO)c3=O)[C@@](O)(CC)C(=O)[O-])c2nc2ccc(O)cc12
Systematic name  (4)：
  • (S)-2-ヒドロキシ-2-[[2-ヒドロキシ-8-(ヒドロキシメチル)-9-オキソ-12-エチル-9,11-ジヒドロインドリジノ[1,2-b]キノリン]-7-イル]ブタン酸アニオン
  • 12-エチル-7-[(S)-1-カルボキシラト-1-ヒドロキシプロピル]-2-ヒドロキシ-8-(ヒドロキシメチル)インドリジノ[1,2-b]キノリン-9(11H)-オン
  • (2S)-2-[12-エチル-2-ヒドロキシ-8-(ヒドロキシメチル)-9-オキソ-9H,11H-インドリジノ[1,2-b]キノリン-7-イル]-2-ヒドロキシブタノアート
  • (2S)-2-[12-ethyl-2-hydroxy-8-(hydroxymethyl)-9-oxo-9H,11H-indolizino[1,2-b]quinolin-7-yl]-2-hydroxybutanoate
Other name (2)：
  • (S)-2-Hydroxy-2-[[2-hydroxy-8-(hydroxymethyl)-9-oxo-12-ethyl-9,11-dihydroindolizino[1,2-b]quinolin]-7-yl]butanoic acid anion
  • 12-Ethyl-7-[(S)-1-carboxylato-1-hydroxypropyl]-2-hydroxy-8-(hydroxymethyl)indolizino[1,2-b]quinoline-9(11H)-one
Thsaurus map：
Thesaurus Map

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