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Valdecoxib IMpurity B Structure

Valdecoxib IMpurity B

Chemical Properties

Melting point >271°C (dec.)
Boiling point 732.7±70.0 °C(Predicted)
Density  1.343±0.06 g/cm3(Predicted)
storage temp.  -20°C Freezer
solubility  DMSO (Slightly), Methanol (Slightly)
pka -4.23±0.40(Predicted)
form  Solid
color  White to Off-White
InChIKey FDUYPVXQEAKTGG-UHFFFAOYSA-N
SMILES C1(S(NS(C2=CC=C(C3=C(C)ON=C3C3=CC=CC=C3)C=C2)(=O)=O)(=O)=O)=CC=C(C2=C(C)ON=C2C2=CC=CC=C2)C=C1

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