1-Cyclopropyl-8-(Difluoromethoxy)-6-Fluoro-7-[(3S)-3-Methyl-1-Piperazinyl]-4-Oxo-1,4-Dihydro-3-Quinolinecarboxylic Acid

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Properties Simple | Detailed

Formula C19H20F3N3O4
IUPAC Name 1-cyclopropyl-8-(difluoromethoxy)-6-fluoro-7-[(1s,3s)-3-methylpiperazin-1-yl]-4-oxo-2,5-dihydroquinoline-2,3,4a,5,6,7,8,8a-octaide-3-carboxylic acid
Molecular Mass 411.375 g·mol−1
Heat of Formation -1005.2 ± 16.7 kJ·mol−1
Dipole Moment 7.61 ± 1.08 D
Volume 445.89 Å 3
Surface Area 366.32 Å 2
HOMO Energy -9.09 ± 0.55 eV
LUMO Energy 1.88 ± eV
Point Group Symmetry C1
Synonyms
  • (-)-1-cyclopropyl-8-(difluoromethoxy)-6-fluoro-1,4-dihydro-7-((s)-3-methyl-1-piperazinyl)-4-oxo-3-quinolinecarboxylic acid.
  • 1-cyclopropyl-8-(difluoromethoxy)-6-fluoro-4-keto-7-[(3s)-3-methylpiperazin-1-yl]quinoline-3-carboxylic acid
  • 1-cyclopropyl-8-(difluoromethoxy)-6-fluoro-7-[(3s)-3-methyl-1-piperazinyl]-4-oxo-3-quinolinecarboxylic acid
  • 1-cyclopropyl-8-(difluoromethoxy)-6-fluoro-7-[(3s)-3-methylpiperazin-1-yl]-4-oxo-quinoline-3-carboxylic acid
  • 1-cyclopropyl-8-(difluoromethoxy)-6-fluoro-7-[(3s)-3-methylpiperazin-1-yl]-4-oxoquinoline-3-carboxylic acid
  • 1-cyclopropyl-8-(difluoromethoxy)-6-fluoro-7-[3(s)-methylpiperazin-1-yl]-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
  • 128426-71-1 (undefined isomer)
  • 128427-30-5 (undefined isomer, hcl salt)
  • 128427-54-3 (r_isomer, hcl salt)
  • 128427-55-4 (monohydrochloride, s isomer)
  • 153808-85-6 (s isomer)
  • 3-quinolinecarboxylic acid, 1-cyclopropyl-8-(difluoromethoxy)-6-fluoro-1,4-dihydro-7-(3-methyl-1-piperazinyl)-4-oxo-, (s)-
  • cadrofloxacin
  • cs940
CAS Number(s)
  • 153808-85-6
InChIKey QBDBUKJBJJWZMG-VIFPVBQESA-N
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