
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 2338845-31-9 |
| Catalog No. | 2A-3184873 |
| Chinese Name | 帕瑞昔布钠杂质 |
| Synonyms | Parecoxib Impurity 001; Parecoxib Sodium Impurity; Parecoxib Sodium Impurity 39; Parecoxib Sodium Impurity 47 |
| Molecular Formula | C32H24N2O4S |
| Molecular Weight | 532.61 |
| Density | 1.257±0.06 g/cm3(Predicted) |
| Boiling Point | 664.6±55.0 °C(Predicted) |
| PubChem ID | 464869131 |
| SMILES | Cc1onc(-c2ccccc2)c1-c1ccc(S(=O)(=O)c2ccc(-c3c(-c4ccccc4)noc3C)cc2)cc1 |
| InChI | InChI=1S/C32H24N2O4S/c1-21-29(31(33-37-21)25-9-5-3-6-10-25)23-13-17-27(18-14-23)39(35,36)28-19-15-24(16-20-28)30-22(2)38-34-32(30)26-11-7-4-8-12-26/h3-20H,1-2H3 |
| InChI Key | AUIOWYYONOZNHZ-UHFFFAOYSA-N |
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