1. Primary Information
| English name: | Bromfenac Sodium Sesquihydrate |
| CAS No.: | 120638-55-3 |
| Molecular formula: | C30H28BR2N2NA2O9 |
| Molecular weight: | 766.3 g/mol |
| SMILES: | C1=CC(=C(C(=C1)C(=O)C2=CC=C(C=C2)Br)N)CC(=O)[O-].C1=CC(=C(C(=C1)C(=O)C2=CC=C(C=C2)Br)N)CC(=O)[O-].O.O.O.[Na+].[Na+] |
| Structural class: | |
| Other identifiers: |
AHR-10282 bromfenac bromfenac sodium Duract ISV-303 |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 250mg | HPLC≥99% | 480 | 2-8℃ | in stock | - |
| Kehua Intelligence | 250mg | 99% | 192 | 2-8℃ | in stock | - |
| Kehua Intelligence | 1g | 99% | 544 | 2-8℃ | in stock | - |
| Kehua Intelligence | 5g | 99% | 1600 | 2-8℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
Coming soon
4. International Nomenclature & Identifiers
4.1 IUPAC Name
disodium;2-[2-amino-3-(4-bromobenzoyl)phenyl]acetate;trihydrate
4.2 InChI
InChI=1S/2C15H12BrNO3.2Na.3H2O/c2*16-11-6-4-9(5-7-11)15(20)12-3-1-2-10(14(12)17)8-13(18)19;;;;;/h2*1-7H,8,17H2,(H,18,19);;;3*1H2/q;;2*+1;;;/p-2
4.3 InChIKey
PPOSVVJOVKVBPW-UHFFFAOYSA-L
4.4 Canonical SMILES
C1=CC(=C(C(=C1)C(=O)C2=CC=C(C=C2)Br)N)CC(=O)[O-].C1=CC(=C(C(=C1)C(=O)C2=CC=C(C=C2)Br)N)CC(=O)[O-].O.O.O.[Na+].[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 --
