1. Primary Information
| English name: | Moxifloxacin Hydrochloride |
| CAS No.: | 186826-86-8 |
| Molecular formula: | C21H25ClFN3O4 |
| Molecular weight: | 437.9 g/mol |
| SMILES: | COC1=C2C(=CC(=C1N3CC4CCCNC4C3)F)C(=O)C(=CN2C5CC5)C(=O)O.Cl |
| Structural class: | |
| Other identifiers: |
1-cyclopropyl--7-(2,8-diazabicyclo(4.3.0)non-8-yl)-6-fluoro-8-methoxy-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid Actira Avalox Avelox BAY 12 8039 |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 100mg | HPLC≥98% | 160 | 2-8℃ | in stock | - |
| Kehua Intelligence | 1ml | 1000μg/ml in methanol | 1040 | 2-8℃ | in stock | - |
| Kehua Intelligence | 250mg | BR，98% | 44 | 2-8℃ | in stock | - |
| Kehua Intelligence | 1g | BR，98% | 100 | 2-8℃ | in stock | - |
| Kehua Intelligence | 5g | BR，98% | 384 | 2-8℃ | in stock | - |
| Kehua Intelligence | 25g | BR，98% | 1480 | 2-8℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
7-[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid;hydrochloride
4.2 InChI
InChI=1S/C21H24FN3O4.ClH/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/t11-,16+;/m0./s1
4.3 InChIKey
IDIIJJHBXUESQI-DFIJPDEKSA-N
4.4 Canonical SMILES
COC1=C2C(=CC(=C1N3CC4CCCNC4C3)F)C(=O)C(=CN2C5CC5)C(=O)O.Cl
4.5 Isomeric SMILES
COC1=C2C(=CC(=C1N3C[C@@H]4CCCN[C@@H]4C3)F)C(=O)C(=CN2C5CC5)C(=O)O.Cl
