BenzenesulfonaMide, 3-[4-[4-(aMinosulfonyl)phenyl]-5-Methyl-3-isoxazolyl]-

BenzenesulfonaMide, 3-[4-[4-(aMinosulfonyl)phenyl]-5-Methyl-3-isoxazolyl]- Structure
CAS No.
1373038-59-5
Chemical Name:
BenzenesulfonaMide, 3-[4-[4-(aMinosulfonyl)phenyl]-5-Methyl-3-isoxazolyl]-
Synonyms
Parecoxib-007;Parecoxib Sodium-11;Parecoxib Impurity 34;Valdecoxib Impurity 37;Parecoxib impurity PR-12-N;Parecoxib SodiuM iMpurity PR-12-E;Parecoxib Impurity,Valdecoxib Impurity I;1373038-59-5;3,3'-(5-methylisoxazole-3,4-diyl)dibenzenesulfonamide;BenzenesulfonaMide, 3-[4-[4-(aMinosulfonyl)phenyl]-5-Me...
CBNumber:
CB12677162
Molecular Formula:
C16H15N3O5S2
Molecular Weight:
393.44
MOL File:
1373038-59-5.mol
MSDS File:
SDS
Modify Date:
2023/4/27 16:27:43

BenzenesulfonaMide, 3-[4-[4-(aMinosulfonyl)phenyl]-5-Methyl-3-isoxazolyl]- Properties

Boiling point 633.6±65.0 °C(Predicted)
Density 1.456±0.06 g/cm3(Predicted)
pka 9.68±0.60(Predicted)
InChI InChI=1S/C16H15N3O5S2/c1-10-15(11-5-7-13(8-6-11)25(17,20)21)16(19-24-10)12-3-2-4-14(9-12)26(18,22)23/h2-9H,1H3,(H2,17,20,21)(H2,18,22,23)
InChIKey ZTJZYTUGYRMBJV-UHFFFAOYSA-N
SMILES C1(S(N)(=O)=O)=CC=CC(C2C(C3=CC=C(S(N)(=O)=O)C=C3)=C(C)ON=2)=C1

SAFETY

Risk and Safety Statements

Symbol(GHS) 
GHS07
Signal word  Warning
Hazard statements  H302-H315-H319-H335
Precautionary statements  P261-P280-P301+P312-P302+P352-P305+P351+P338

BenzenesulfonaMide, 3-[4-[4-(aMinosulfonyl)phenyl]-5-Methyl-3-isoxazolyl]- Chemical Properties,Uses,Production

Uses

3-(5-Methyl-4-(4-sulfamoylphenyl)isoxazol-3-yl)benzenesulfonamide is a reagent for the large scale synthesis of Valdecoxib, a nonsteroidal anti-inflammatory drug.

BenzenesulfonaMide, 3-[4-[4-(aMinosulfonyl)phenyl]-5-Methyl-3-isoxazolyl]- Preparation Products And Raw materials

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BenzenesulfonaMide, 3-[4-[4-(aMinosulfonyl)phenyl]-5-Methyl-3-isoxazolyl]- 3-[4-[4-(Aminosulfonyl)phenyl]-5-methyl-3-isoxazolyl]benzenesulfonamide 3-[5-Methyl-4-(4-sulfamoylphenyl)-1,2-oxazol-3-yl]benzenesulfonamide Parecoxib SodiuM iMpurity PR-12-E 3,3'-(5-methylisoxazole-3,4-diyl)dibenzenesulfonamide Parecoxib-007 Parecoxib Impurity 34 Parecoxib impurity 8/3-(5-Methyl-4-(4-sulfamoylphenyl)isoxazol-3-yl)benzenesulfonamide Parecoxib Sodium-11 Parecoxib impurity PR-12-N BenzenesulfonaMide, 3-[4-[4-(aMinosulfonyl)phenyl]-5-Me... Parecoxib Impurity,Valdecoxib Impurity I 1373038-59-5 Valdecoxib Impurity 37 1373038-59-5