1. Primary Information
| English name: | Parecoxib sodium |
| CAS No.: | 198470-85-8 |
| Molecular formula: | C19H17N2NAO4S |
| Molecular weight: | 392.4 g/mol |
| SMILES: | CCC(=O)[N-]S(=O)(=O)C1=CC=C(C=C1)C2=C(ON=C2C3=CC=CC=C3)C.[Na+] |
| Structural class: | |
| Other identifiers: |
Dynastat N-(((5-methyl-3-phenylisoxazol-4-yl)-phenyl)sulfonyl)propanamide N-(((5-methyl-3-phenylisoxazol-4-yl)-phenyl)sulfonyl)propanamine, sodium salt N-(((Me-P)-P)S)P parecoxib |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 5mg | HPLC≥98% | 256 | 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;[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)phenyl]sulfonyl-propanoylazanide
4.2 InChI
InChI=1S/C19H18N2O4S.Na/c1-3-17(22)21-26(23,24)16-11-9-14(10-12-16)18-13(2)25-20-19(18)15-7-5-4-6-8-15;/h4-12H,3H2,1-2H3,(H,21,22);/q;+1/p-1
4.3 InChIKey
HQPVVKXJNZEAFW-UHFFFAOYSA-M
4.4 Canonical SMILES
CCC(=O)[N-]S(=O)(=O)C1=CC=C(C=C1)C2=C(ON=C2C3=CC=CC=C3)C.[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 --
