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Substance Name: Sitafloxacin [USAN:INN]
RN: 163253-35-8
UNII: 9TD681796G
InChIKey: MPORYQCGWFQFLA-ONPDANIMSA-N

Classification Codes

  • Anti-Bacterial Agents
  • Anti-Infective Agents
  • Antibacterial (DNA-Gyrase Inhibitor)
  • Antineoplastic Agents
  • Enzyme Inhibitors
  • Topoisomerase II Inhibitors

Molecular Formula

  • C19-H18-Cl-F2-N3-O3.3/2H2-O

Molecular Weight

  • 873.6808
 
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Names and Synonyms

Name of Substance

  • Sitafloxacin
  • Sitafloxacin [USAN:INN]

Synonyms

  • (-)-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-3-quinolinecarboxylic acid, sesquihydrate
  • 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-, hydrate (2:3), (1R-(1alpha(S*), 2alpha))-
  • DU 6859A
  • DU-6859a
  • Sitafloxacin
  • UNII-9TD681796G

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

Registry Numbers

CAS Registry Number

  • 163253-35-8

FDA UNII

  • 9TD681796G

System Generated Number

  • 0163253358

Molecular Formulas

Molecular Formula

  • C19-H18-Cl-F2-N3-O3.3/2H2-O

Molecular Formula Fragments

  • C19-H18-Cl-F2-N3-O3
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

InChI=1S/2C19H18ClF2N3O3.3H2O/c2*20-14-15-8(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;;;/h2*3,5,10,12-13H,1-2,4,6-7,23H2,(H,27,28);3*1H2/t2*10-,12+,13+;;;/m00.../s1

InChIKey

MPORYQCGWFQFLA-ONPDANIMSA-N

Smiles

O.O.O.N[C@@H]1CN(CC12CC2)c3c(F)cc4C(=O)C(=CN([C@@H]5C[C@@H]5F)c4c3Cl)C(=O)O.N[C@@H]6CN(CC67CC7)c8c(F)cc9C(=O)C(=CN([C@@H]%10C[C@@H]%10F)c9c8Cl)C(=O)O