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Details

Stereochemistry ACHIRAL
Molecular Formula C16H14N2O5S
Molecular Weight 346.358
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BENZENESULFONAMIDE, N-HYDROXY-4-(5-(HYDROXYMETHYL)-3-PHENYL-4-ISOXAZOLYL)-

SMILES

OCC1=C(C(=NO1)C2=CC=CC=C2)C3=CC=C(C=C3)S(=O)(=O)NO

InChI

InChIKey=QUJNXRZCTHMBKO-UHFFFAOYSA-N
InChI=1S/C16H14N2O5S/c19-10-14-15(16(17-23-14)12-4-2-1-3-5-12)11-6-8-13(9-7-11)24(21,22)18-20/h1-9,18-20H,10H2

HIDE SMILES / InChI

Approval Year

Unknown
139594
Name Type Language
BENZENESULFONAMIDE, N-HYDROXY-4-(5-(HYDROXYMETHYL)-3-PHENYL-4-ISOXAZOLYL)-
Systematic Name English
VALDECOXIB METABOLITE M5
Common Name English
N-HYDROXY-4-(5-(HYDROXYMETHYL)-3-PHENYL-4-ISOXAZOLYL)BENZENESULFONAMIDE
Systematic Name English
Code System Code Type Description
CAS
501093-51-2
Created by admin on Sat Dec 16 15:11:17 GMT 2023 , Edited by admin on Sat Dec 16 15:11:17 GMT 2023
PRIMARY
PUBCHEM
156028093
Created by admin on Sat Dec 16 15:11:17 GMT 2023 , Edited by admin on Sat Dec 16 15:11:17 GMT 2023
PRIMARY
FDA UNII
JM8DJL2BPW
Created by admin on Sat Dec 16 15:11:17 GMT 2023 , Edited by admin on Sat Dec 16 15:11:17 GMT 2023
PRIMARY
PARENT (METABOLITE)
Structure of VALDECOXIB
NIH
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