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Details

Stereochemistry ACHIRAL
Molecular Formula C16H16N2O4S
Molecular Weight 332.374
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-HYDROXYFEBUXOSTAT

SMILES

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

InChI

InChIKey=FFDDWBJYRJGZQH-UHFFFAOYSA-N
InChI=1S/C16H16N2O4S/c1-9-13(15(19)20)23-14(18-9)10-4-5-12(11(6-10)7-17)22-8-16(2,3)21/h4-6,21H,8H2,1-3H3,(H,19,20)

HIDE SMILES / InChI

Molecular Formula C16H16N2O4S
Molecular Weight 332.374
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:58:38 UTC 2023
Edited
by admin
on Sat Dec 16 08:58:38 UTC 2023
Record UNII
L8Q1USE6C2
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-HYDROXYFEBUXOSTAT
Common Name English
2-(3-CYANO-4-(2-HYDROXY-2-METHYLPROPOXY)PHENYL)-4-METHYL-5-THIAZOLECARBOXYLIC ACID
Systematic Name English
5-THIAZOLECARBOXYLIC ACID, 2-(3-CYANO-4-(2-HYDROXY-2-METHYLPROPOXY)PHENYL)-4-METHYL-
Systematic Name English
FEBUXOSTAT METABOLITE 67M-2
Common Name English
Code System Code Type Description
PUBCHEM
11956739
Created by admin on Sat Dec 16 08:58:38 UTC 2023 , Edited by admin on Sat Dec 16 08:58:38 UTC 2023
PRIMARY
FDA UNII
L8Q1USE6C2
Created by admin on Sat Dec 16 08:58:38 UTC 2023 , Edited by admin on Sat Dec 16 08:58:38 UTC 2023
PRIMARY
CAS
407582-47-2
Created by admin on Sat Dec 16 08:58:38 UTC 2023 , Edited by admin on Sat Dec 16 08:58:38 UTC 2023
PRIMARY
Related Record Type Details
BINDER->LIGAND
BINDING
Related Record Type Details
PARENT -> METABOLITE ACTIVE
FECAL