2338845-31-9

Name Parecoxib Sodium EJF
CAS 2338845-31-9
Molecular Formula C32H24N2O4S
Molecular Weight 532.61
MOL File 2338845-31-9.mol
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Chemical Properties

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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