Pefloxacin mesylate dihydrateProduct ingredient for Pefloxacin

Name
Pefloxacin mesylate dihydrate
Drug Entry
Pefloxacin

A synthetic broad-spectrum fluoroquinolone antibacterial agent active against most gram-negative and gram-positive bacteria.

Accession Number
DBSALT000852
Structure
Synonyms
Not Available
UNII
CX28QC6FU0
CAS Number
149676-40-4
Weight
Average: 465.49
Monoisotopic: 465.158114211
Chemical Formula
C18H28FN3O8S
InChI Key
LEULAXMUNMRLPW-UHFFFAOYSA-N
InChI
InChI=1S/C17H20FN3O3.CH4O3S.2H2O/c1-3-20-10-12(17(23)24)16(22)11-8-13(18)15(9-14(11)20)21-6-4-19(2)5-7-21;1-5(2,3)4;;/h8-10H,3-7H2,1-2H3,(H,23,24);1H3,(H,2,3,4);2*1H2
IUPAC Name
1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid methanesulfonic acid dihydrate
SMILES
O.O.CS(O)(=O)=O.CCN1C=C(C(O)=O)C(=O)C2=CC(F)=C(C=C12)N1CCN(C)CC1
ChemSpider
5292900
ChEMBL
CHEMBL2104775
Predicted Properties
PropertyValueSource
Water Solubility1.23 mg/mLALOGPS
logP0.2ALOGPS
logP0.88Chemaxon
logS-2.4ALOGPS
pKa (Strongest Acidic)5.66Chemaxon
pKa (Strongest Basic)6.47Chemaxon
Physiological Charge-1Chemaxon
Hydrogen Acceptor Count6Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area64.09 Å2Chemaxon
Rotatable Bond Count3Chemaxon
Refractivity90.77 m3·mol-1Chemaxon
Polarizability34.45 Å3Chemaxon
Number of Rings3Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon