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198471-06-6

198471-06-6 Structure

198471-06-6 Structure
IdentificationBack Directory
[Name]

N-((4-(5-Methyl-3-phenylisoxazol-4-yl)phenyl)sulfonyl)acetaMide
[CAS]

198471-06-6
[Synonyms]

Parecoxib-008
PARECOXIB SODIUM G
Parecoxib Sodium-16
Parecoxib Impurity 10
Valdecoxib Impurity 10
Parecoxib Sodium Impurity I
Parecoxib Sodium Impurity X
Parecoxib Sodium Impurity 12
Parecoxib Sodium Impurity 18
Parecoxib Impurity C(Valdecoxib Impurity)
N-((4-(5-Methyl-3-phenylisoxazol-4-yl)phenyl)sulfonyl)
N-((4-(5-Methyl-3-phenylisoxazol-4-yl)phenyl)sulfonyl)acet...
N-[[4-(5-Methyl-3-phenyl-4-isoxazolyl)phenyl]sulfonyl]acetamide
N-ACETYL-4-(5-METHYL-3-PHENYL-ISOXAZOL-4-YL)-BENZENESULFONAMIDE
N-((4-(5-Methyl-3-phenylisoxazol-4-yl)phenyl)sulfonyl)acetaMide
N-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)phenyl]sulfonylacetamide
AcetaMide, N-[[4-(5-Methyl-3-phenyl-4-isoxazolyl)phenyl]sulfonyl]-
Parecoxib impurity 9/N-((4-(5-methyl-3-phenylisoxazol-4-yl)phenyl)sulfonyl)acetamide
[Molecular Formula]

C18H16N2O4S
[MDL Number]

MFCD26940316
[MOL File]

198471-06-6.mol
[Molecular Weight]

356.4
Chemical PropertiesBack Directory
[density ]

1.288±0.06 g/cm3(Predicted)
[storage temp. ]

2-8°C
[pka]

5.10±0.10(Predicted)
[InChI]

InChI=1S/C18H16N2O4S/c1-12-17(18(19-24-12)15-6-4-3-5-7-15)14-8-10-16(11-9-14)25(22,23)20-13(2)21/h3-11H,1-2H3,(H,20,21)
[InChIKey]

UMBILIGVYYXBRD-UHFFFAOYSA-N
[SMILES]

C(NS(C1=CC=C(C2=C(C)ON=C2C2=CC=CC=C2)C=C1)(=O)=O)(=O)C
Hazard InformationBack Directory
[Uses]

N-[[4-(5-Methyl-3-phenyl-4-isoxazolyl)phenyl]sulfonyl]acetamide is used in the microbial biotransformations of valdecoxib using microbial cultures to predict mammalian drug metabolism.
Spectrum DetailBack Directory
[Spectrum Detail]

N-((4-(5-Methyl-3-phenylisoxazol-4-yl)phenyl)sulfonyl)acetaMide(198471-06-6)1HNMR
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