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79660-72-3

79660-72-3 structural image
Product Name: Fleroxacin
Formula: C17H18F3N3O3
Synonyms: 6,8-Difluoro-1-(2-fluoroethyl)1,4-dihydro-7-(4-methyl-1-piperazinyl)-4-oxo-3-quinolinecarboxylic acid;6,8-Difluoro-1-(2-fluoroethyl)-1,4-dihydro-7-(4-methylpiperazino)-4-oxo-3-quinolinecarboxylic acid;Megalocin;Megalone;
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CHEMICAL AND PHYSICAL PROPERTIES

Melting Point 270 dec °C
LogP 0.24
Caco2 Permeability -4.81
Dissociation Constants 8.8
Collision Cross Section 189.8 Ų [M+H]+ [CCS Type: TW, Method: calibrated with Waters Major Mix]

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Health Hazard
GHS08
GHS Hazard Statements H371:Specific target organ toxicity, single exposure
Precautionary Statement Codes P260:Do not breathe dust/fume/gas/mist/vapours/spray.
P264:Wash hands thoroughly after handling.
P264:Wash skin thouroughly after handling.
P270:Do not eat, drink or smoke when using this product.
P405:Store locked up.
P501:Dispose of contents/container to..…

COMPUTED DESCRIPTORS

Molecular Weight 369.34 g/mol
XLogP3 -0.1
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 9
Rotatable Bond Count 4
Exact Mass 369.13002593 g/mol
Monoisotopic Mass 369.13002593 g/mol
Topological Polar Surface Area 64.1 Ų
Heavy Atom Count 26
Formal Charge 0
Complexity 595
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Fleroxacin is a fluoroquinolone antibiotic that is 4-oxo-1,4-dihydroquinoline which is substituted at positions 1, 3, 6, 7 and 8 by 2-fluoroethyl, carboxy, fluoro, 4-methylpiperazin-1-yl and fluoro groups, respectively. It is active against many Gram-positive and Gram-negative bacteria. It has a role as a topoisomerase IV inhibitor, an antibacterial drug and an EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor. It is a member of quinolines, a fluoroquinolone antibiotic, a difluorobenzene, a N-alkylpiperazine and a monocarboxylic acid.