1-Cyclopropyl-6-Fluoro-4-Oxo-7-(4-Sulfo-1-Piperazinyl)-1,4-Dihydro-3-Quinolinecarboxylic Acid

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Properties Simple | Detailed

Formula C17H18FN3O6S
IUPAC Name 1-cyclopropyl-6-fluoro-4-oxo-7-(4-sulfopiperazin-1-yl)-5,8-dihydro-2h-quinoline-2,3,4a,5,6,7,8,8a-octaide-3-carboxylic acid
Molecular Mass 411.405 g·mol−1
Heat of Formation -931.7 ± 16.7 kJ·mol−1
Dipole Moment 4.99 ± 1.08 D
Volume 435.2 Å 3
Surface Area 373.49 Å 2
HOMO Energy -9.05 ± 0.55 eV
LUMO Energy 1.98 ± eV
Point Group Symmetry C1
Synonyms
  • 1-cyclopropyl-6-fluoro-4-keto-7-(4-sulfopiperazin-1-yl)quinoline-3-carboxylic acid
  • 1-cyclopropyl-6-fluoro-4-oxo-7-(4-sulfo-1-piperazinyl)-3-quinolinecarboxylic acid
  • 1-cyclopropyl-6-fluoro-4-oxo-7-(4-sulfopiperazin-1-yl)quinoline-3-carboxylic acid
  • 3-quinolinecarboxylic acid, 1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-7-(4-sulfo-1-piperazinyl)-
  • bay-s 9435
  • sulfociprofloxacin
CAS Number(s)
  • 105093-21-8
InChIKey SDLYZOYQWKDWJG-UHFFFAOYSA-N
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