Finafloxacin
7-[(4aS,7aS)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazin-6-yl]-8-cyano-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
Molecular Identity
Finafloxacin
7-[(4aS,7aS)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazin-6-yl]-8-cyano-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
PubChem CID: 11567473
Finafloxacin is a quinolone that is 4-oxo-1,4-dihydroquinoline-3-carboxylic acid which is substituted at positions 1, 6, 7 and 8 by cyclopropyl, fluoro, hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl and cyano groups respectively; an antibiotic used for treatment of acute otitis externa (swimmer's ear) caused by the bacteria Pseudomonas aeruginosa and Staphylococcus aureus. It has a role as an antimicrobial agent and an antibacterial drug. It is a nitrile, a quinolone, a monocarboxylic acid, an organofluorine compound, a secondary amino compound, a tertiary amino compound and a member of cyclopropanes.
2D Structure
Properties
C20H19FN4O4
Molecular Formula
398.40
Molecular Weight
g/mol
398.1390
Exact Mass
Da
-0.7
XLogP
Drug-like (Lipinski: < 5)
106
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
9
H-Bond Acceptors
806
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Finafloxacin209342-40-5XtorofinafloxacinefinafloxacinoD26OSN9Q4RAL-60371CHEBI:85176DTXSID101750963-Quinolinecarboxylic acid, 8-cyano-1-cyclopropyl-6-fluoro-7-[(4aS,7aS)-hexahydropyrrolo[3,4-b]-1,4-oxazin-6(2H)-yl]-1,4-dihydro-4-oxo-7-[(4aS,7aS)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazin-6-yl]-8-cyano-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acidfinafloxacinum3-Quinolinecarboxylic acid, 8-cyano-1-cyclopropyl-6-fluoro-7-((4aS,7aS)-hexahydropyrrolo(3,4-b)-1,4-oxazin-6(2H)-yl)-1,4-dihydro-4-oxo-7-((4aS,7aS)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo(3,4-b)(1,4)oxazin-6-yl)-8-cyano-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acidRefChem:56697
Data from PubChem (NCBI)
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