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Details

Stereochemistry ACHIRAL
Molecular Formula C16H14N2O4S
Molecular Weight 330.358
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BENZENESULFONAMIDE, 4-(3-(3-HYDROXYPHENYL)-5-METHYL-4-ISOXAZOLYL)-

SMILES

CC1=C(C(=NO1)C2=CC=CC(O)=C2)C3=CC=C(C=C3)S(N)(=O)=O

InChI

InChIKey=IAVWHASLRCBDDK-UHFFFAOYSA-N
InChI=1S/C16H14N2O4S/c1-10-15(11-5-7-14(8-6-11)23(17,20)21)16(18-22-10)12-3-2-4-13(19)9-12/h2-9,19H,1H3,(H2,17,20,21)

HIDE SMILES / InChI

Approval Year

Unknown
139594
Name Type Language
BENZENESULFONAMIDE, 4-(3-(3-HYDROXYPHENYL)-5-METHYL-4-ISOXAZOLYL)-
Systematic Name English
VALDECOXIB METABOLITE M9
Common Name English
Code System Code Type Description
PUBCHEM
72710738
Created by admin on Sat Dec 16 09:10:04 GMT 2023 , Edited by admin on Sat Dec 16 09:10:04 GMT 2023
PRIMARY
FDA UNII
LQM255TK1N
Created by admin on Sat Dec 16 09:10:04 GMT 2023 , Edited by admin on Sat Dec 16 09:10:04 GMT 2023
PRIMARY
CAS
501093-54-5
Created by admin on Sat Dec 16 09:10:04 GMT 2023 , Edited by admin on Sat Dec 16 09:10:04 GMT 2023
PRIMARY
PARENT (METABOLITE)
Structure of VALDECOXIB
NIH
NCATS
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