Danofloxacin mesylateProduct ingredient for Danofloxacin
- Name
- Danofloxacin mesylate
- Drug Entry
- Danofloxacin
Danofloxacin is an antibiotic agent from the family of the fluoroquinolones used in veterinary medicine.
- Accession Number
- DBSALT002864
- Structure
Structure for Danofloxacin mesylate (DBSALT002864)
- Synonyms
- Danofloxacin mesylate / Danofloxacin monomethanesulfonate
- External IDs
- CP 76,136-27 / CP-76,136-27
- UNII
- 94F3SX3LEM
- CAS Number
- 119478-55-6
- Weight
- Average: 453.49
Monoisotopic: 453.136984842 - Chemical Formula
- C20H24FN3O6S
- InChI Key
- APFDJSVKQNSTKF-FXMYHANSSA-N
- InChI
- InChI=1S/C19H20FN3O3.CH4O3S/c1-21-7-12-4-11(21)8-22(12)17-6-16-13(5-15(17)20)18(24)14(19(25)26)9-23(16)10-2-3-10;1-5(2,3)4/h5-6,9-12H,2-4,7-8H2,1H3,(H,25,26);1H3,(H,2,3,4)/t11-,12-;/m0./s1
- IUPAC Name
- 1-cyclopropyl-6-fluoro-7-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-4-oxo-1,4-dihydroquinoline-3-carboxylic acid; methanesulfonic acid
- SMILES
- CS(O)(=O)=O.[H][C@]12CN(C3=C(F)C=C4C(=O)C(=CN(C5CC5)C4=C3)C(O)=O)[C@]([H])(CN1C)C2
- External Links
- ChemSpider
- 64438
- ChEMBL
- CHEMBL2106153
- Predicted Properties
Property Value Source Water Solubility 0.738 mg/mL ALOGPS logP 0.33 ALOGPS logP 0.063 Chemaxon logS -2.7 ALOGPS pKa (Strongest Acidic) 5.49 Chemaxon pKa (Strongest Basic) 7.31 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 6 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 64.09 Å2 Chemaxon Rotatable Bond Count 3 Chemaxon Refractivity 95.47 m3·mol-1 Chemaxon Polarizability 36.6 Å3 Chemaxon Number of Rings 5 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon