1. Primary Information
| English name: | Pefloxacin mesylate |
| CAS No.: | 70458-95-6 |
| Molecular formula: | C18H24FN3O6S |
| Molecular weight: | 429.5 g/mol |
| SMILES: | CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C)F)C(=O)O.CS(=O)(=O)O |
| Structural class: | |
| Other identifiers: |
2589 R.B. Abactal Dihydrate, Pefloxacin Mesylate Mesylate Dihydrate, Pefloxacin Mesylate, Pefloxacin |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 100mg | HPLC≥99% | 96 | 2-8℃ | in stock | - |
| Kehua Intelligence | 5g | ≥98% | 112 | 2-8℃ | in stock | - |
| Kehua Intelligence | 25g | ≥98% | 310 | 2-8℃ | in stock | - |
| Kehua Intelligence | 100g | ≥98% | 760 | 2-8℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
Coming soon
4. International Nomenclature & Identifiers
4.1 IUPAC Name
1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid;methanesulfonic acid
4.2 InChI
InChI=1S/C17H20FN3O3.CH4O3S/c1-3-20-10-12(17(23)24)16(22)11-8-13(18)15(9-14(11)20)21-6-4-19(2)5-7-21;1-5(2,3)4/h8-10H,3-7H2,1-2H3,(H,23,24);1H3,(H,2,3,4)
4.3 InChIKey
HQQSBEDKMRHYME-UHFFFAOYSA-N
4.4 Canonical SMILES
CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C)F)C(=O)O.CS(=O)(=O)O
4.5 Isomeric SMILES
-
4.6 SDF file
Coming soon
5. Spectroscopic data
5.1 13C nuclear magnetic resonance (13C NMR)
5.2 1H nuclear magnetic resonance (1H NMR)
5.3 Mass spectrometry (MS)
Coming soon
5.4 Infrared spectroscopy (IR)
Coming soon
5.5 Ultraviolet/visible spectroscopy (UV/Vis)
Coming soon
-- No 3D model data available --
