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Substance Name: Sitafloxacin [INN]
RN: 127254-12-0
UNII: 3GJC60U4Q8
InChIKey: PNUZDKCDAWUEGK-CYZMBNFOSA-N

Molecular Formula

  • C19-H18-Cl-F2-N3-O3

Molecular Weight

  • 409.8182
 
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Names and Synonyms

Name of Substance

  • DU 6859
  • Sitafloxacin [INN]

Synonyms

  • (-)-7-((7S)-Amino-5-azaspiro(2,4)hept-5-yl)-8-chloro-6-fluoro-1-((1R,2S)-2-fluorocyclopropyl)-1,4-dihydro-4-oxoq-3-uinolonecarboxylic acid
  • 7-((7S)-Amino-5-azaspiro(2,4)heptan-5-yl)-8-chloro-6-fluoro-1-((1R,2R)-cis-2-fluoro-1-cyclopropyl)-1,4-dihydro-4-oxoquinolone-3-carboxylic acid
  • 7-(7-Amino-5-azaspiro(2.4)heptan-5-yl)-8-chloro-6-fluoro-1-(2-fluorocyclopropyl)-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid sesquihydrate
  • DU 6859
  • DU 6859A
  • Gracevit
  • Sitafloxacin
  • UNII-3GJC60U4Q8

Systematic Names

  • 3-Quinolinecarboxylic acid, 7-((7S)-7-amino-5-azaspiro(24)hept-5-yl)-8-chloro-6-fluoro-1-((1R,2S)-2-fluorocyclopropyl)-1,4-dihydro-4-oxo-
  • 3-Quinolinecarboxylic acid, 7-(7-amino-5-azaspiro(2.4)hept-5-yl)-8-chloro-6-fluoro-1-(2-fluorocyclopropyl)-1,4-dihydro-4-oxo-, (1R-(1alpha(S*),2alpha))-

Registry Numbers

CAS Registry Number

  • 127254-12-0

FDA UNII

  • 3GJC60U4Q8

Other Registry Numbers

  • 155421-11-7
  • 163157-04-8
  • 167355-47-7

System Generated Number

  • 0127254120

Structure Descriptors

InChI

InChI=1S/C19H18ClF2N3O3/c20-14-15-8(17(26)9(18(27)28)5-25(15)12-4-10(12)21)3-11(22)16(14)24-6-13(23)19(7-24)1-2-19/h3,5,10,12-13H,1-2,4,6-7,23H2,(H,27,28)/t10-,12+,13+/m0/s1

InChIKey

PNUZDKCDAWUEGK-CYZMBNFOSA-N

Smiles

N[C@@H]1CN(CC12CC2)c3c(F)cc4C(=O)C(=CN([C@@H]5C[C@@H]5F)c4c3Cl)C(=O)O