Moxifloxacin hydrochloride monohydrateProduct ingredient for Moxifloxacin
- Name
- Moxifloxacin hydrochloride monohydrate
- Drug Entry
- Moxifloxacin
Moxifloxacin is a synthetic fluoroquinolone antibiotic agent. Bayer AG developed the drug (initially called BAY 12-8039) and it is marketed worldwide (as the hydrochloride) under the brand name Avelox (in some countries also Avalox) for oral treatment.
- Accession Number
- DBSALT002560
- Structure
Structure for Moxifloxacin hydrochloride monohydrate (DBSALT002560)
- Synonyms
- Not Available
- UNII
- B8956S8609
- CAS Number
- 192927-63-2
- Weight
- Average: 455.91
Monoisotopic: 455.1623268 - Chemical Formula
- C21H27ClFN3O5
- InChI Key
- SKZIMSDWAIZNDD-WJMOHVQJSA-N
- InChI
- InChI=1S/C21H24FN3O4.ClH.H2O/c1-29-20-17-13(19(26)14(21(27)28)9-25(17)12-4-5-12)7-15(22)18(20)24-8-11-3-2-6-23-16(11)10-24;;/h7,9,11-12,16,23H,2-6,8,10H2,1H3,(H,27,28);1H;1H2/t11-,16+;;/m0../s1
- IUPAC Name
- 7-[(4aS,7aS)-octahydro-1H-pyrrolo[3,4-b]pyridin-6-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylic acid hydrate hydrochloride
- SMILES
- O.Cl.[H][C@]12CN(C[C@@]1([H])NCCC2)C1=C(F)C=C2C(=O)C(=CN(C3CC3)C2=C1OC)C(O)=O
- External Links
- ChemSpider
- 8065921
- ChEMBL
- CHEMBL2326947
- Predicted Properties
Property Value Source Water Solubility 0.168 mg/mL ALOGPS logP 0.01 ALOGPS logP -0.5 Chemaxon logS -3.4 ALOGPS pKa (Strongest Acidic) 5.69 Chemaxon pKa (Strongest Basic) 9.42 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 7 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 82.11 Å2 Chemaxon Rotatable Bond Count 4 Chemaxon Refractivity 106.22 m3·mol-1 Chemaxon Polarizability 41.29 Å3 Chemaxon Number of Rings 5 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon