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Details

Stereochemistry RACEMIC
Molecular Formula C16H16N2O4S
Molecular Weight 332.374
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-HYDROXYFEBUXOSTAT, (±)-

SMILES

CC(CO)COC1=C(C=C(C=C1)C2=NC(C)=C(S2)C(O)=O)C#N

InChI

InChIKey=FPODSLPQWIIKKI-UHFFFAOYSA-N
InChI=1S/C16H16N2O4S/c1-9(7-19)8-22-13-4-3-11(5-12(13)6-17)15-18-10(2)14(23-15)16(20)21/h3-5,9,19H,7-8H2,1-2H3,(H,20,21)

HIDE SMILES / InChI

Approval Year

Unknown
139594
Name Type Language
3-HYDROXYFEBUXOSTAT, (±)-
Common Name English
5-THIAZOLECARBOXYLIC ACID, 2-(3-CYANO-4-(3-HYDROXY-2-METHYLPROPOXY)PHENYL)-4-METHYL-
Systematic Name English
FEBUXOSTAT METABOLITE 67M-1
Common Name English
2-(3-CYANO-4-(3-HYDROXY-2-METHYLPROPOXY)PHENYL)-4-METHYL-5-THIAZOLECARBOXYLIC ACID
Systematic Name English
Code System Code Type Description
FDA UNII
OUZ34W2CFD
Created by admin on Sat Dec 16 09:13:55 GMT 2023 , Edited by admin on Sat Dec 16 09:13:55 GMT 2023
PRIMARY
CAS
887945-96-2
Created by admin on Sat Dec 16 09:13:55 GMT 2023 , Edited by admin on Sat Dec 16 09:13:55 GMT 2023
PRIMARY
PUBCHEM
9818975
Created by admin on Sat Dec 16 09:13:55 GMT 2023 , Edited by admin on Sat Dec 16 09:13:55 GMT 2023
PRIMARY
PARENT (METABOLITE ACTIVE)
Structure of FEBUXOSTAT
NIH
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