Difloxacin Hydrochloride
Basic information
- CAS
91296-86-5- Standard SMILES
CN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3-c2ccc(F)cc2)CC1.Cl- InChIKey
JFMGBGLSDVIOHL-UHFFFAOYSA-N- Molecular formula
- C21H20ClF2N3O3
- Average molar mass
- 435.8 g/mol
- Monoisotopic mass
- 435.1161255
Overview
Difloxacin Hydrochloride is a member of quinolines.
Names & identifiers
- Preferred name
- Difloxacin Hydrochloride
- IUPAC
- 6-fluoro-1-(4-fluorophenyl)-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid;hydrochloride
- English name
- Difluoxacin hydrochloride
- Molecular formula
- C21H20ClF2N3O3
- Molecular weight
- 435.85
Names & synonyms
DIFLOXACIN HYDROCHLORIDE91296-86-5Difloxacin HClABBOTT-56619Difloxacin monohydrochlorideXJ0260HJ0ODTXSID2046599Dicural TabletsNSC-759646DTXCID00265993-Quinolinecarboxylic acid, 6-fluoro-1-(4-fluorophenyl)-1,4-dihydro-7-(4-methyl-1-piperazinyl)-4-oxo-, monohydrochlorideRefChem:55020
Show more names
VETRANAL6-FLUORO-1-(4-FLUOROPHENYL)-1,4-DIHYDRO-7-(4-METHYLPIPERAZINO)-4-OXO-3-QUINOLINECARBOXYLIC ACID HYDROCHLORIDEDifluoxacinDifluoxacin HCLDifloxacin HCl - Bio-X ?DifloxacinHydrochlorideSal-7-(4-methylpiperazin-1-yl)
Difluoxacin hydrochloride6-fluoro-1-(4-fluorophenyl)-7-(4-methylpiperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid hydrochlorideDifloxacin Hydrochloride SaltAbbott 56619C21H20ClF2N3O3Difloxacin hydrochloride [USAN]Pharmakon1600-01502359MFCD03840489
Database identifiers
- CAS
91296-86-5
Properties
Computed structural properties
- Topological polar surface area
- 64.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 672
Experimental & physicochemical properties
Animal DrugsFDA approved animal drugs -> Active ingredient
Physicochemical properties
- Melting point
- 245 °C · >245°C (dec.)
- storage temp.
- Inert atmosphere,Room Temperature
- solubility
- Soluble in aqueous buffer
- form
- powder
- color
- White to off-white
- Major Application
- forensics and toxicologypharmaceutical (small molecule)
- InChI
- InChI=1S/C21H19F2N3O3.ClH/c1-24-6-8-25(9-7-24)19-11-18-15(10-17(19)23)20(27)16(21(28)29)12-26(18)14-4-2-13(22)3-5-14;/h2-5,10-12H,6-9H2,1H3,(H,28,29);1H
- InChIKey
- JFMGBGLSDVIOHL-UHFFFAOYSA-N
- SMILES
- C12C=C(C(F)=CC=1C(C(C(=O)O)=CN2C1=CC=C(F)C=C1)=O)N1CCN(C)CC1.Cl
- CAS DataBase Reference
- 91296 · 91296-86-5(CAS DataBase Reference)
- FDA UNII
- 260 HJ0O · XJ0260HJ0O
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS ClassificationNot Classified
Hazard information
Regulatory InformationDifloxacin hydrochloride: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and CategoriesNot Classified
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- rtecs
- VB2008975
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
DescriptionDifloxacin is a fluoroquinolone antibiotic. It is active against isolates of anaerobic bacteria, including B. fragilis, as well as Fusobacterium and Actinomyces species with MIC values ranging from ≤0.125 to 8 μg/ml. It eliminates E. coli and B. fragilis infection in a rat intra-abdominal abscess model when administered at a dose of 40 mg/kg three times per day.
Usesantibacterial, DNA gyrase inhibitor
UsesA quinolone antibacterial compound. Structurally related to norfloxacin
UsesA fluoroquinolone antibacterial structurally related to norfloxacin.
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