Garenoxacin mesylateProduct ingredient for Garenoxacin
- Name
- Garenoxacin mesylate
- Drug Entry
- Garenoxacin
Garenoxacin, a quinolone antibiotic, is being investigated for the treatment of gram-positive and gram-negative bacterial infections.
- Accession Number
- DBSALT001994
- Structure
Structure for Garenoxacin mesylate (DBSALT001994)
- Synonyms
- Garenoxacin mesilate / Garenoxacin mesylate / Garenoxacin mesylate hydrate
- External IDs
- BMS-284756-01 / T-3811ME
- UNII
- OXI6EF55FR
- CAS Number
- 223652-90-2
- Weight
- Average: 540.53
Monoisotopic: 540.137793305 - Chemical Formula
- C24H26F2N2O8S
- InChI Key
- IGTHEWGRXUAFKF-NVJADKKVSA-N
- InChI
- InChI=1S/C23H20F2N2O4.CH4O3S.H2O/c1-11-15-5-2-12(8-13(15)9-26-11)16-6-7-17-19(21(16)31-23(24)25)27(14-3-4-14)10-18(20(17)28)22(29)30;1-5(2,3)4;/h2,5-8,10-11,14,23,26H,3-4,9H2,1H3,(H,29,30);1H3,(H,2,3,4);1H2/t11-;;/m1../s1
- IUPAC Name
- 1-cyclopropyl-8-(difluoromethoxy)-7-[(1R)-1-methyl-2,3-dihydro-1H-isoindol-5-yl]-4-oxo-1,4-dihydroquinoline-3-carboxylic acid methanesulfonic acid hydrate
- SMILES
- O.CS(O)(=O)=O.[H][C@]1(C)NCC2=C1C=CC(=C2)C1=C(OC(F)F)C2=C(C=C1)C(=O)C(=CN2C1CC1)C(O)=O
- External Links
- ChemSpider
- 138758
- ChEMBL
- CHEMBL3183451
- Predicted Properties
Property Value Source Water Solubility 0.0232 mg/mL ALOGPS logP 1.71 ALOGPS logP 1.62 Chemaxon logS -4.3 ALOGPS pKa (Strongest Acidic) 6.05 Chemaxon pKa (Strongest Basic) 8.88 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 6 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 78.87 Å2 Chemaxon Rotatable Bond Count 5 Chemaxon Refractivity 110.37 m3·mol-1 Chemaxon Polarizability 42.38 Å3 Chemaxon Number of Rings 5 Chemaxon Bioavailability 1 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon