1. Primary Information
| English name: | Amfenac sodium hydrate |
| CAS No.: | 61618-27-7 |
| Molecular formula: | C15H14NNAO4 |
| Molecular weight: | 295.26 g/mol |
| SMILES: | C1=CC=C(C=C1)C(=O)C2=CC=CC(=C2N)CC(=O)[O-].O.[Na+] |
| Structural class: | |
| Other identifiers: |
2-amino-3-benzoylbenzeneacetic acid, monosodium salt, monohydrate AHR 5850 amfenac amfenac calcium salt (2:1) amfenac monosodium salt |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 100mg | HPLC≥98% | 96 | 2-8℃ | in stock | - |
| Kehua Intelligence | 250mg | 98% | 48 | 2-8℃ | in stock | - |
| Kehua Intelligence | 1g | 98% | 80 | 2-8℃ | in stock | - |
| Kehua Intelligence | 5g | 98% | 296 | 2-8℃ | in stock | - |
| Kehua Intelligence | 25g | 98% | 1016 | 2-8℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
Coming soon
4. International Nomenclature & Identifiers
4.1 IUPAC Name
sodium;2-(2-amino-3-benzoylphenyl)acetate;hydrate
4.2 InChI
InChI=1S/C15H13NO3.Na.H2O/c16-14-11(9-13(17)18)7-4-8-12(14)15(19)10-5-2-1-3-6-10;;/h1-8H,9,16H2,(H,17,18);;1H2/q;+1;/p-1
4.3 InChIKey
QZNJPJDUBTYMRS-UHFFFAOYSA-M
4.4 Canonical SMILES
C1=CC=C(C=C1)C(=O)C2=CC=CC(=C2N)CC(=O)[O-].O.[Na+]
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 --
