1709956-89-7

Name Parecoxib Sodium Impurity 14
CAS 1709956-89-7
Molecular Formula C19H18N2O4S
Molecular Weight 370.42
MOL File 1709956-89-7.mol
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Chemical Properties

density  1.264±0.06 g/cm3(Predicted)
pka 5.24±0.10(Predicted)
InChI InChI=1S/C19H18N2O4S/c1-3-17(22)21-26(23,24)16-11-7-10-15(12-16)18-13(2)25-20-19(18)14-8-5-4-6-9-14/h4-12H,3H2,1-2H3,(H,21,22)
InChIKey LBJQZHNREKXOHS-UHFFFAOYSA-N
SMILES C(NS(C1=CC=CC(C2=C(C)ON=C2C2=CC=CC=C2)=C1)(=O)=O)(=O)CC

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H302-H315-H319-H335
Precautionary statements  P280-P305+P351+P338

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