Grepafloxacin hydrochlorideProduct ingredient for Grepafloxacin
- Name
- Grepafloxacin hydrochloride
- Drug Entry
- Grepafloxacin
Grepafloxacin is an oral broad-spectrum quinoline antibacterial agent used to treat bacterial infections. Due to the QTc-prolonging potential, as indicated by the changes in the QT interval on the electrocardiogram, and the risk for cardiovascular adverse events, grepafloxacin was withdrawn in the United States.
- Accession Number
- DBSALT000913
- Structure
- Synonyms
- Grepafloxacin HCl
- UNII
- A4ER1Z8N9N
- CAS Number
- 161967-81-3
- Weight
- Average: 395.86
Monoisotopic: 395.1411975 - Chemical Formula
- C19H23ClFN3O3
- InChI Key
- IEPMBYOIQGCVHO-UHFFFAOYSA-N
- InChI
- InChI=1S/C19H22FN3O3.ClH/c1-10-8-22(6-5-21-10)15-7-14-16(11(2)17(15)20)18(24)13(19(25)26)9-23(14)12-3-4-12;/h7,9-10,12,21H,3-6,8H2,1-2H3,(H,25,26);1H
- IUPAC Name
- 1-cyclopropyl-6-fluoro-5-methyl-7-(3-methylpiperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid hydrochloride
- SMILES
- Cl.CC1CN(CCN1)C1=C(F)C(C)=C2C(=O)C(=CN(C3CC3)C2=C1)C(O)=O
- External Links
- PubChem Compound
- 656829
- ChemSpider
- 571112
- ChEBI
- 774344
- ChEMBL
- CHEMBL1200393
- Wikipedia
- Grepafloxacin
- Predicted Properties
Property Value Source Water Solubility 0.632 mg/mL ALOGPS logP -0.12 ALOGPS logP 0.12 Chemaxon logS -2.8 ALOGPS pKa (Strongest Acidic) 5.88 Chemaxon pKa (Strongest Basic) 8.77 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 6 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 72.88 Å2 Chemaxon Rotatable Bond Count 3 Chemaxon Refractivity 97.4 m3·mol-1 Chemaxon Polarizability 37.66 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon