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83380-47-6

83380-47-6 structural image
Product Name: OFLOXACIN
Formula: C18H20FN3O4
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Solid
Color/Form Off-white to pale yellow crystalline powder
Melting Point 254 dec °C
Solubility 28.3 mg/mL
LogP -0.39
Decomposition When heated to decomposition it emits toxic fumes of /hydrogen fluoride and nitrogen oxides/.
Ionization Efficiency Positive
Dissociation Constants 8.31
Collision Cross Section 188.5 Ų [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards]
Other Experimental Properties Exists as a zwitterion at pH conditions in the small intestine

COMPUTED DESCRIPTORS

Molecular Weight 361.4 g/mol
XLogP3 -0.4
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 8
Rotatable Bond Count 2
Exact Mass 361.14378429 g/mol
Monoisotopic Mass 361.14378429 g/mol
Topological Polar Surface Area 73.3 Ų
Heavy Atom Count 26
Formal Charge 0
Complexity 634
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Ofloxacin is a racemate comprising equimolar amounts of levofloxacin and dextrofloxacin. It is a synthetic fluoroquinolone antibacterial agent which inhibits the supercoiling activity of bacterial DNA gyrase, halting DNA replication. It has a role as a DNA synthesis inhibitor, an antiinfective agent, an antibacterial drug, an EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor and a topoisomerase IV inhibitor. It is a quinolone antibiotic, a fluoroquinolone antibiotic and a racemate. It contains a levofloxacin and a dextrofloxacin.