Sarafloxacin hydrochlorideProduct ingredient for Sarafloxacin

Show full entry for Sarafloxacin
Name
Sarafloxacin hydrochloride
Drug Entry
Sarafloxacin

Sarafloxacin is a quinolone antibiotic drug, which was discontinued by its manufacturer, Abbott Laboratories, before receiving approval for use in the US or Canada.

See full entry for Sarafloxacin
Accession Number
DBSALT001657
Structure
Similar Structures
Synonyms
Sarafloxacin HCl
UNII
I36JP4Q9DF
CAS Number
91296-87-6
Weight
Average: 421.83
Monoisotopic: 421.1004755
Chemical Formula
C20H18ClF2N3O3
InChI Key
KNWODGJQLCISLC-UHFFFAOYSA-N
InChI
InChI=1S/C20H17F2N3O3.ClH/c21-12-1-3-13(4-2-12)25-11-15(20(27)28)19(26)14-9-16(22)18(10-17(14)25)24-7-5-23-6-8-24;/h1-4,9-11,23H,5-8H2,(H,27,28);1H
IUPAC Name
6-fluoro-1-(4-fluorophenyl)-4-oxo-7-(piperazin-1-yl)-1,4-dihydroquinoline-3-carboxylic acid hydrochloride
SMILES
Cl.OC(=O)C1=CN(C2=CC=C(F)C=C2)C2=CC(N3CCNCC3)=C(F)C=C2C1=O
ChemSpider
50726
ChEMBL
CHEMBL542157
Predicted Properties
PropertyValueSource
Water Solubility0.105 mg/mLALOGPS
logP0.29ALOGPS
logP0.56Chemaxon
logS-3.6ALOGPS
pKa (Strongest Acidic)5.74Chemaxon
pKa (Strongest Basic)8.68Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count6Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area72.88 Å2Chemaxon
Rotatable Bond Count3Chemaxon
Refractivity99.9 m3·mol-1Chemaxon
Polarizability37.15 Å3Chemaxon
Number of Rings4Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon