Pradofloxacin

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Properties Simple | Detailed

Formula C21H21FN4O3
IUPAC Name 7-[(4as,7as)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-1-ium-6-yl]-8-cyano-1-cyclopropyl-6-fluoro-4-oxo-quinoline-3-carboxylate
Molecular Mass 396.415 g·mol−1
Heat of Formation -35.6 ± 16.7 kJ·mol−1
Dipole Moment 39.99 ± 1.08 D
Volume 452.08 Å 3
Surface Area 368.6 Å 2
HOMO Energy -7.32 ± 0.55 eV
LUMO Energy -1.59 ± eV
Point Group Symmetry C1
Synonyms
  • 7-[(4as,7as)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-8-cyano-1-cyclopropyl-6-fluoro-4-keto-quinoline-3-carboxylic acid
  • 7-[(4as,7as)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-8-cyano-1-cyclopropyl-6-fluoro-4-oxo-3-quinolinecarboxylic acid
  • 7-[(4as,7as)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-8-cyano-1-cyclopropyl-6-fluoro-4-oxo-quinoline-3-carboxylic acid
  • 7-[(4as,7as)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-8-cyano-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
InChIKey LZLXHGFNOWILIY-APPDUMDISA-N
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