Clinafloxacin hydrochlorideProduct ingredient for Clinafloxacin

Name
Clinafloxacin hydrochloride
Drug Entry
Clinafloxacin

Clinafloxacin is a fluoroquinolone antibacterial currently under research. It has been proven to present good antibiotic properties. However, its approval and release have been halted due to the presence of serious side effects.

Accession Number
DBSALT002698
Structure
Thumb
Synonyms
Clinafloxacin HCl
UNII
G17M59V0FY
CAS Number
105956-99-8
Weight
Average: 402.25
Monoisotopic: 401.070925
Chemical Formula
C17H18Cl2FN3O3
InChI Key
BMACYHMTJHBPOX-UHFFFAOYSA-N
InChI
InChI=1S/C17H17ClFN3O3.ClH/c18-13-14-10(5-12(19)15(13)21-4-3-8(20)6-21)16(23)11(17(24)25)7-22(14)9-1-2-9;/h5,7-9H,1-4,6,20H2,(H,24,25);1H
IUPAC Name
7-(3-aminopyrrolidin-1-yl)-8-chloro-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid hydrochloride
SMILES
Cl.NC1CCN(C1)C1=C(F)C=C2C(=O)C(=CN(C3CC3)C2=C1Cl)C(O)=O
External Links
ChemSpider
54183
ChEMBL
CHEMBL537626
Predicted Properties
PropertyValueSource
Water Solubility0.445 mg/mLALOGPS
logP0.36ALOGPS
logP-0.42ChemAxon
logS-2.9ALOGPS
pKa (Strongest Acidic)5.45ChemAxon
pKa (Strongest Basic)9.63ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area86.87 Å2ChemAxon
Rotatable Bond Count3ChemAxon
Refractivity92.51 m3·mol-1ChemAxon
Polarizability35.67 Å3ChemAxon
Number of Rings4ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon