1. Primary Information
| English name: | Enoxacin Sesquihydrate |
| CAS No.: | 84294-96-2 |
| Molecular formula: | C30H40F2N8O9 |
| Molecular weight: | 694.7 g/mol |
| SMILES: | CCN1C=C(C(=O)C2=CC(=C(N=C21)N3CCNCC3)F)C(=O)O.CCN1C=C(C(=O)C2=CC(=C(N=C21)N3CCNCC3)F)C(=O)O.O.O.O |
| Structural class: | |
| Other identifiers: |
AT 2266 AT-2266 AT2266 CI 919 CI-919 |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 250mg | HPLC≥98% | 176 | 2-8℃ | in stock | - |
| Kehua Intelligence | 1g | 98% | 32 | 2-8℃ | in stock | - |
| Kehua Intelligence | 5g | 98% | 88 | 2-8℃ | in stock | - |
| Kehua Intelligence | 25g | 98% | 304 | 2-8℃ | in stock | - |
| Kehua Intelligence | 100g | 98% | 920 | 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-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylic acid;trihydrate
4.2 InChI
InChI=1S/2C15H17FN4O3.3H2O/c2*1-2-19-8-10(15(22)23)12(21)9-7-11(16)14(18-13(9)19)20-5-3-17-4-6-20;;;/h2*7-8,17H,2-6H2,1H3,(H,22,23);3*1H2
4.3 InChIKey
DKNNITGJCMPHKE-UHFFFAOYSA-N
4.4 Canonical SMILES
CCN1C=C(C(=O)C2=CC(=C(N=C21)N3CCNCC3)F)C(=O)O.CCN1C=C(C(=O)C2=CC(=C(N=C21)N3CCNCC3)F)C(=O)O.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 --
