| Identification | Back Directory | [Name]
Parecoxib Sodium EJF | [CAS]
2338845-31-9 | [Synonyms]
Parecoxib Sodium EJF
Parecoxib Impurity 01
Parecoxib Impurity 001
Parecoxib impurity 31/4,4'-(sulfonylbis(4,1-phenylene))bis(5-methyl-3-phenylisoxazole) | [Molecular Formula]
C32H24N2O4S | [MOL File]
2338845-31-9.mol | [Molecular Weight]
532.61 |
| Chemical Properties | Back Directory | [Boiling point ]
664.6±55.0 °C(Predicted) | [density ]
1.257±0.06 g/cm3(Predicted) | [pka]
-3.17±0.50(Predicted) | [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 | [InChIKey]
AUIOWYYONOZNHZ-UHFFFAOYSA-N | [SMILES]
CC1ON=C(C2C=CC=CC=2)C=1C1C=CC(S(C2C=CC(C3=C(ON=C3C3C=CC=CC=3)C)=CC=2)(=O)=O)=CC=1 |
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