Valdecoxib Impurity B | CAS No. 1373038-60-8

Valdecoxib Impurity B

Basic Information

CAS Number

1373038-60-8

Molecular Formula

C32H25N3O6S2

Molecular Weight

611.7 g/mol

AD

Basic Physical Properties

Solubility

Insuluble (2.3E-5 g/L) (25 ºC),

CC1=C(C(=NO1)C2=CC=CC=C2)C3=CC=C(C=C3)S(=O)(=O)NS(=O)(=O)C4=CC=C(C=C4)C5=C(ON=C5C6=CC=CC=C6)C

InChI

InChI=1S/C32H25N3O6S2/c1-21-29(31(33-40-21)25-9-5-3-6-10-25)23-13-17-27(18-14-23)42(36,37)35-43(38,39)28-19-15-24(16-20-28)30-22(2)41-34-32(30)26-11-7-4-8-12-26/h3-20,35H,1-2H3

InChIKey

FDUYPVXQEAKTGG-UHFFFAOYSA-N

LogP

6.614640000000006

Topological Polar Surface Area

132.37 Ų

Hydrogen Bond Donor/Acceptor

1 / 9

Complexity

1020

Synonyms & References

English

  • Valdecoxib Dimer
  • N-[4-(5-Methyl-3-phenyl-4-isoxazolyl)benzenesulfonyl]-4-(5-Methyl-3-phenyl-4-isoxazolyl)benzenesulfonaMide
  • Valdecoxib IMpurity B
  • 4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-N-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonyl]benzene-1-sulfonamide
  • 4-(5-Methyl-3-phenylisoxazol-4-yl)-N-((4-(5-methyl-3-phenylisoxazol-4-yl)phenyl)sulfonyl)benzenesulfonamide
  • N-[4-(5-Methyl-3-phenyl-4-isoxazolyl)benzenesulfonyl]-4-(5-methyl-3-phenyl-4-isoxazolyl)benzenesulfonamide
  • DB-199244
  • 4-(5-Methyl-3-phenylisoxazol-4-yl)-N-((4-(5-methyl-3-phenylisoxazol-4-yl)phenyl)sulfonyl)benzenesulfonamide (Palbociclib Impurity)
  • N-[4-(5-Methyl-3-phenyl-4-isoxazolyl)benzenesulfonyl]-4-(5-methyl-3-phenyl-4-isoxazolyl)benzenesulfonamide; Valdecoxib Impurity B;
  • CS-0255346
  • 4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-N-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)phenyl]sulfonylbenzenesulfonamide
  • Valdecoxib Impurity B
  • 1373038-60-8
  • AS-82423
  • 4-(5-methyl-3-phenylisoxazol-4-yl)-N-((4-(5-methyl-3-phenylisoxazol-4-yl)phenyl)sulfonyl)benzenesulfonamide

MDL Number

MFCD30145636

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