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Details

Stereochemistry ACHIRAL
Molecular Formula C12H8N2O3S
Molecular Weight 260.269
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-(3-CYANO-4-HYDROXYPHENYL)-4-METHYL-5-THIAZOLECARBOXYLIC ACID

SMILES

CC1=C(SC(=N1)C2=CC=C(O)C(=C2)C#N)C(O)=O

InChI

InChIKey=ZJDGVDDELZNDRA-UHFFFAOYSA-N
InChI=1S/C12H8N2O3S/c1-6-10(12(16)17)18-11(14-6)7-2-3-9(15)8(4-7)5-13/h2-4,15H,1H3,(H,16,17)

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
2-(3-CYANO-4-HYDROXYPHENYL)-4-METHYL-5-THIAZOLECARBOXYLIC ACID
Systematic Name English
FEBUXOSTAT METABOLITE 67M-3
Preferred Name English
5-THIAZOLECARBOXYLIC ACID, 2-(3-CYANO-4-HYDROXYPHENYL)-4-METHYL-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID30735575
Created by admin on Tue Apr 01 21:47:07 GMT 2025 , Edited by admin on Tue Apr 01 21:47:07 GMT 2025
PRIMARY
CAS
407582-48-3
Created by admin on Tue Apr 01 21:47:07 GMT 2025 , Edited by admin on Tue Apr 01 21:47:07 GMT 2025
PRIMARY
FDA UNII
WV8DAC6G3N
Created by admin on Tue Apr 01 21:47:07 GMT 2025 , Edited by admin on Tue Apr 01 21:47:07 GMT 2025
PRIMARY
PUBCHEM
135482091
Created by admin on Tue Apr 01 21:47:07 GMT 2025 , Edited by admin on Tue Apr 01 21:47:07 GMT 2025
PRIMARY
PARENT (METABOLITE)
Structure of Febuxostat
NIH
NCATS
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