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4-(5-甲基-3-苯基异恶唑-4-基)-N-((4-(5-甲基-3-苯基异噁唑-4-基)苯基)磺酰基)苯磺酰胺(帕瑞昔布钠杂质)
Valdecoxib Dimer
伐地考昔二聚体
,
4-(5-甲基-3-苯基-4-异恶唑基)-N-[[4-(5-甲基-3-苯基-4-异恶唑基)苯基]磺酰基]苯磺酰胺, Valdecoxib IMpurity B, 4-(5-Methyl-3-phenyl-4-isoxazolyl)-N-[[4-(5-methyl-3-phenyl-4-isoxazolyl)phenyl]sulfonyl]benzenesulfonamide, Parecoxib Impurity 26
CAS号: 1373038-60-8
IUPAC名称: 4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-N-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)phenyl]sulfonylbenzenesulfonamide
分子式: C32H25N3O6S2
分子量: 611.68700
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
SMILES: 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
EINECS: -
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