Acorafloxacin

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Properties Simple | Detailed

Formula C21H32F2N3O4+
IUPAC Name 7-[(1s,3e)-3-(2-amino-1-fluoro-ethylidene)-1-piperidyl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-2,5-dihydroquinoline-2,3,4a,5,6,7,8,8a-octaide-3-carboxylic acid
Molecular Mass 428.493 g·mol−1
Heat of Formation -731.2 ± 16.7 kJ·mol−1
Dipole Moment 5.56 ± 1.08 D
Volume 470.37 Å 3
Surface Area 377.14 Å 2
HOMO Energy -8.98 ± 0.55 eV
LUMO Energy 2.01 ± eV
Point Group Symmetry C1
Synonyms
  • 7-[(3e)-3-(2-amino-1-fluoro-ethylidene)-1-piperidyl]-1-cyclopropyl-6-fluoro-4-keto-8-methoxy-quinoline-3-carboxylic acid
  • 7-[(3e)-3-(2-amino-1-fluoro-ethylidene)-1-piperidyl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-quinoline-3-carboxylic acid
  • 7-[(3e)-3-(2-amino-1-fluoro-ethylidene)piperidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-quinoline-3-carboxylic acid
  • 7-[(3e)-3-(2-amino-1-fluoroethylidene)-1-piperidinyl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-3-quinolinecarboxylic acid
  • 7-[(3e)-3-(2-amino-1-fluoroethylidene)piperidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid
InChIKey VMKVDAAFMQKZJS-LFIBNONCSA-N
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