Sitafloxacin

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Properties Simple | Detailed

Formula C19H18ClF2N3O3
IUPAC Name 7-[(5s,7s)-7-amino-5-azaspiro[2.4]heptan-5-yl]-8-chloro-6-fluoro-1-[(1r,2s)-2-fluorocyclopropyl]-4-oxo-2,5-dihydroquinoline-2,3,4a,5,6,7,8,8a-octaide-3-carboxylic acid
Molecular Mass 409.814 g·mol−1
Heat of Formation -230.6 ± 16.7 kJ·mol−1
Dipole Moment 41.81 ± 1.08 D
Volume 439.41 Å 3
Surface Area 359.03 Å 2
HOMO Energy -7.16 ± 0.55 eV
LUMO Energy -1.88 ± eV
Point Group Symmetry C1
Synonyms
  • 127254-10-8(acetate)
  • 163253-36-9 (hemihydrate)
  • 163253-37-0 (monohydrate)
  • 3-quinolinecarboxylic acid, 7-[(7s)-7-amino-5-azaspiro[2.4]hept-5-yl]-8-chloro-6-fluoro-1-[(1r,2s)-2-fluorocyclopropyl]-1,4-dihydro-4-oxo-
  • 7-((7s)-7-amino-5-azaspiro[2.4]hept-5-yl)-1-((1s,2s)-2-fluorocyclopropyl)-8-chloro-6-fluoro-4-oxohydroquinoline-3-carboxylic acid
  • 7-[(4s)-4-amino-6-azaspiro[2.4]heptan-6-yl]-8-chloro-6-fluoro-1-[(1r,2s)-2-fluorocyclopropyl]-4-keto-quinoline-3-carboxylic acid
  • 7-[(4s)-4-amino-6-azaspiro[2.4]heptan-6-yl]-8-chloro-6-fluoro-1-[(1r,2s)-2-fluorocyclopropyl]-4-oxo-3-quinolinecarboxylic acid
  • 7-[(4s)-4-amino-6-azaspiro[2.4]heptan-6-yl]-8-chloro-6-fluoro-1-[(1r,2s)-2-fluorocyclopropyl]-4-oxo-quinoline-3-carboxylic acid
  • 7-[(4s)-4-amino-6-azaspiro[2.4]heptan-6-yl]-8-chloro-6-fluoro-1-[(1r,2s)-2-fluorocyclopropyl]-4-oxoquinoline-3-carboxylic acid
InChIKey PNUZDKCDAWUEGK-CYZMBNFOSA-N
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