7-[(2S,3R)-3-Amino-2-Methyl-1-Azetidinyl]-1-(2,4-Difluorophenyl)-6-Fluoro-4-Oxo-1,4-Dihydro-3-Quinolinecarboxylic Acid

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Properties Simple | Detailed

Formula C20H31F3N3O3+
IUPAC Name 7-[(1s,2s,3r)-3-amino-2-methyl-azetidin-1-yl]-1-(2,4-difluorocyclohexyl)-6-fluoro-4-oxo-5,8-dihydro-2h-quinoline-2,3,4a,5,6,7,8,8a-octaide-3-carboxylic acid
Molecular Mass 418.474 g·mol−1
Heat of Formation -730.9 ± 16.7 kJ·mol−1
Dipole Moment 8.85 ± 1.08 D
Volume 436.04 Å 3
Surface Area 371.6 Å 2
HOMO Energy -8.80 ± 0.55 eV
LUMO Energy 1.64 ± eV
Point Group Symmetry C1
Synonyms
  • (-)-7-((2s,3r)-3-amino-2-methyl-1-azetidinyl)-1-(2,4-difluorophenyl)-6-fluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid
  • 3-quinolinecarboxylic acid, 7-(3-amino-2-methyl-1-azetidinyl)-1-(2,4-difluorophenyl)-6-fluoro-1,4-dihydro-4-oxo-, (2s-trans)-
  • 7-[(2s,3r)-3-amino-2-methyl-1-azetidinyl]-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-3-quinolinecarboxylic acid
  • 7-[(2s,3r)-3-amino-2-methyl-azetidin-1-yl]-1-(2,4-difluorophenyl)-6-fluoro-4-keto-quinoline-3-carboxylic acid
  • 7-[(2s,3r)-3-amino-2-methyl-azetidin-1-yl]-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-quinoline-3-carboxylic acid
  • 7-[(2s,3r)-3-amino-2-methylazetidin-1-yl]-1-(2,4-difluorophenyl)-6-fluoro-4-oxoquinoline-3-carboxylic acid
  • cetefloxacin
  • e 4868
CAS Number(s)
  • 141725-88-4
InChIKey LTDOHCZUKCZDEQ-BJOHPYRUSA-N
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