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Fleroxacin

CAT: 0926-AF23303-01Size: 2 gDry Ice: NoHazardous: No
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CAT#:0926-AF23303-01Size:2 g
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CAS Number
79660-72-3
Synonyms
Megalone
MDL Number
MFCD00864880
Smiles
CN1CCN (CC1) C2=C (C=C3C (=C2F) N (C=C (C3=O) C (=O) O) CCF) F
Molecular Formula
C17H18F3N3O3
Molecular Weight
369.34 g/mol
Controlled
No

Chemical Information

Fleroxacin

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 an antibacterial drug, an EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor and a topoisomerase IV inhibitor. It is a monocarboxylic acid, a member of quinolines, a difluorobenzene, a N-alkylpiperazine and a fluoroquinolone antibiotic.

CAS Number79660-72-3
PubChem CID3357
IUPAC Name6,8-difluoro-1-(2-fluoroethyl)-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid
Molecular FormulaC17H18F3N3O3
Molecular Weight369.34
XLogP-0.1
Topological Polar Surface Area64.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count4
Heavy Atom Count26
Formal Charge0
Complexity595
SMILES
CN1CCN(CC1)C2=C(C=C3C(=C2F)N(C=C(C3=O)C(=O)O)CCF)F
InChI
InChI=1S/C17H18F3N3O3/c1-21-4-6-22(7-5-21)15-12(19)8-10-14(13(15)20)23(3-2-18)9-11(16(10)24)17(25)26/h8-9H,2-7H2,1H3,(H,25,26)
InChIKey
XBJBPGROQZJDOJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Fleroxacin
CAS: 79660-72-3
CID: 3357
Formula: C17H18F3N3O3
MW: 369.34
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight369.34
XLogP3-0.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count4
Exact Mass369.13002593
Monoisotopic Mass369.13002593
Topological Polar Surface Area64.1 Ų
Heavy Atom Count26
Formal Charge0
Complexity595
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
317876Fleroxacin
HY-B0414R-01Fleroxacin (Standard)
AR-F01530-01Fleroxacin Impurity A
HY-B0414AS-01Fleroxacin-d3 (hydrochloride)
AR-F01533-01Fleroxacin Impurity D
AR-F01532-01Fleroxacin Impurity C

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