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
- External Links
- ChemSpider
- 5292900
- ChEMBL
- CHEMBL2104775
- Predicted Properties
Property Value Source Water Solubility 1.23 mg/mL ALOGPS logP 0.2 ALOGPS logP 0.88 Chemaxon logS -2.4 ALOGPS pKa (Strongest Acidic) 5.66 Chemaxon pKa (Strongest Basic) 6.47 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 6 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 64.09 Å2 Chemaxon Rotatable Bond Count 3 Chemaxon Refractivity 90.77 m3·mol-1 Chemaxon Polarizability 34.45 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon