U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C16H16N2O4S
Molecular Weight 332.374
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

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

SMILES

C[C@H](CO)COC1=C(C=C(C=C1)C2=NC(C)=C(S2)C(O)=O)C#N

InChI

InChIKey=FPODSLPQWIIKKI-SECBINFHSA-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)/t9-/m1/s1

HIDE SMILES / InChI

Molecular Formula C16H16N2O4S
Molecular Weight 332.374
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 09:09:39 GMT 2023
Edited
by admin
on Sat Dec 16 09:09:39 GMT 2023
Record UNII
4N7YEC35YS
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-HYDROXYFEBUXOSTAT, (R)-
Common Name English
5-THIAZOLECARBOXYLIC ACID, 2-(3-CYANO-4-((2R)-3-HYDROXY-2-METHYLPROPOXY)PHENYL)-4-METHYL-
Systematic Name English
FEBUXOSTAT (67M-1), (R)-
Common Name English
2-(3-CYANO-4-((2R)-3-HYDROXY-2-METHYLPROPOXY)PHENYL)-4-METHYL-5-THIAZOLECARBOXYLIC ACID
Systematic Name English
Code System Code Type Description
PUBCHEM
92136333
Created by admin on Sat Dec 16 09:09:39 GMT 2023 , Edited by admin on Sat Dec 16 09:09:39 GMT 2023
PRIMARY
FDA UNII
4N7YEC35YS
Created by admin on Sat Dec 16 09:09:39 GMT 2023 , Edited by admin on Sat Dec 16 09:09:39 GMT 2023
PRIMARY
CAS
407582-45-0
Created by admin on Sat Dec 16 09:09:39 GMT 2023 , Edited by admin on Sat Dec 16 09:09:39 GMT 2023
PRIMARY
Related Record Type Details
RACEMATE -> ENANTIOMER