Delafloxacin

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Properties Simple | Detailed

Formula C18H27ClF3N4O4+
IUPAC Name 1-(6-amino-3,5-difluoro-piperidine-1,2,3,4,5,6-hexaid-2-yl)-8-chloro-6-fluoro-7-(3-hydroxyazetidin-1-yl)-4-oxo-2,5-dihydroquinoline-2,3,4a,5,6,7,8,8a-octaide-3-carboxylic acid
Molecular Mass 455.880 g·mol−1
Heat of Formation -854.4 ± 16.7 kJ·mol−1
Dipole Moment 10.58 ± 1.08 D
Volume 431.51 Å 3
Surface Area 370.66 Å 2
HOMO Energy -8.85 ± 0.55 eV
LUMO Energy -1.30 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(6-amino-3,5-difluoro-2-pyridyl)-8-chloro-6-fluoro-7-(3-hydroxy-1-azetidinyl)-4-oxo-3-quinolinecarboxylic acid
  • 1-(6-amino-3,5-difluoro-2-pyridyl)-8-chloro-6-fluoro-7-(3-hydroxyazetidin-1-yl)-4-keto-quinoline-3-carboxylic acid
  • 1-(6-amino-3,5-difluoro-2-pyridyl)-8-chloro-6-fluoro-7-(3-hydroxyazetidin-1-yl)-4-oxo-quinoline-3-carboxylic acid
  • 1-(6-amino-3,5-difluoro-pyridin-2-yl)-8-chloro-6-fluoro-7-(3-hydroxyazetidin-1-yl)-4-oxo-quinoline-3-carboxylic acid
  • 3-quinolinecarboxylic acid, 1-(6-amino-3,5-difluoro-2-pyridinyl)-8-chloro-6-fluoro-1,4-dihydro-7-(3-hydroxy-1-azetidinyl)-4-oxo-
  • a-319492
  • abt-492
  • wq-3034
InChIKey DYDCPNMLZGFQTM-UHFFFAOYSA-N
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Elements C F H Cl O N