Chem
J-GLOBAL ID:200907046647362273   Nikkaji number:J565.451C

7-[(4β-Amino-1,3,3aα,4,7,7aα-hexahydro-2H-isoindol)-2-yl]-1-cyclopropyl-6,8-difluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid

7-[(4β-アミノ-1,3,3aα,4,7,7aα-ヘキサヒドロ-2H-イソインドール)-2-イル]-1-シクロプロピル-6,8-ジフルオロ-1,4-ジヒドロ-4-オキソ-3-キノリンカルボン酸
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: C21H21F2N3O3
Molecular formula furigana: C21-H21-F2-N3-O3
Molecular weight: 401.414
InChI: InChI=1S/C21H21F2N3O3/c22-15-6-12-18(26(11-4-5-11)9-14(20(12)27)21(28)29)17(23)19(15)25-7-10-2-1-3-16(24)13(10)8-25/h1,3,6,9-11,13,16H,2,4-5,7-8,24H2,(H,28,29)/t10-,13+,16-/m0/s1
InChI key: ITGGODXXBNJXSR-WNMQOVRZSA-N
SMILES: N[C@H]1C=CC[C@H]2CN(C[C@@H]12)c1c(F)cc2c(c1F)n(cc(C(=O)O)c2=O)C1CC1
Systematic name  (3):
  • 7-[(4β-アミノ-1,3,3aα,4,7,7aα-ヘキサヒドロ-2H-イソインドール)-2-イル]-1-シクロプロピル-6,8-ジフルオロ-1,4-ジヒドロ-4-オキソ-3-キノリンカルボン酸
  • 7-[(3aS,4S,7aR)-4-アミノ-2,3,3a,4,7,7a-ヘキサヒドロ-1H-イソインドール-2-イル]-1-シクロプロピル-6,8-ジフルオロ-4-オキソ-1,4-ジヒドロキノリン-3-カルボン酸
  • 7-[(3aS,4S,7aR)-4-amino-2,3,3a,4,7,7a-hexahydro-1H-isoindol-2-yl]-1-cyclopropyl-6,8-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
Other name (1):
  • 7-[(4β-Amino-1,3,3aα,4,7,7aα-hexahydro-2H-isoindol)-2-yl]-1-cyclopropyl-6,8-difluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid
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