Difloxacin hydrochlorideProduct ingredient for Difloxacin

Name
Difloxacin hydrochloride
Drug Entry
Difloxacin

Difloxacin is a synthetic fluoroquinolone used in veterinary. As an antibacterial, it presents a broad bactericidal spectrum and its effects are dependent on its concentration. However, it presents a reduced efficacy when compared to other fluoroquinolone antibacterials.

Accession Number
DBSALT001675
Structure
Synonyms
Difloxacin HCl
UNII
XJ0260HJ0O
CAS Number
91296-86-5
Weight
Average: 435.86
Monoisotopic: 435.1161255
Chemical Formula
C21H20ClF2N3O3
InChI Key
JFMGBGLSDVIOHL-UHFFFAOYSA-N
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
IUPAC Name
6-fluoro-1-(4-fluorophenyl)-7-(4-methylpiperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid hydrochloride
SMILES
Cl.CN1CCN(CC1)C1=C(F)C=C2C(=C1)N(C=C(C(O)=O)C2=O)C1=CC=C(F)C=C1
ChemSpider
50724
ChEMBL
CHEMBL542414
Predicted Properties
PropertyValueSource
Water Solubility0.126 mg/mLALOGPS
logP1.16ALOGPS
logP2.36Chemaxon
logS-3.5ALOGPS
pKa (Strongest Acidic)5.64Chemaxon
pKa (Strongest Basic)6.45Chemaxon
Physiological Charge-1Chemaxon
Hydrogen Acceptor Count6Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area64.09 Å2Chemaxon
Rotatable Bond Count3Chemaxon
Refractivity105.19 m3·mol-1Chemaxon
Polarizability39.25 Å3Chemaxon
Number of Rings4Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon