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Details

Stereochemistry ACHIRAL
Molecular Formula C17H18N2O3S
Molecular Weight 330.401
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Febuxostat Methyl Ester

SMILES

COC(=O)C1=C(C)N=C(S1)C2=CC(C#N)=C(OCC(C)C)C=C2

InChI

InChIKey=LCAIQMGTEPBUGN-UHFFFAOYSA-N
InChI=1S/C17H18N2O3S/c1-10(2)9-22-14-6-5-12(7-13(14)8-18)16-19-11(3)15(23-16)17(20)21-4/h5-7,10H,9H2,1-4H3

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
Febuxostat Methyl Ester
Common Name English
5-Thiazolecarboxylic acid, 2-[3-cyano-4-(2-methylpropoxy)phenyl]-4-methyl-, methyl ester [INDEX-NAME]
Preferred Name English
Febuxostat Methyl Ester [USP Nickname]
Common Name English
Methyl 2-[3-cyano-4-(2-methylpropoxy)phenyl]-4-methylthiazole-5-carboxylate [IUPAC]
Common Name English
Code System Code Type Description
FDA UNII
3ZT8VH4ZWE
Created by admin on Wed Apr 02 19:33:47 GMT 2025 , Edited by admin on Wed Apr 02 19:33:47 GMT 2025
PRIMARY
EPA CompTox
DTXSID30737332
Created by admin on Wed Apr 02 19:33:47 GMT 2025 , Edited by admin on Wed Apr 02 19:33:47 GMT 2025
PRIMARY
CAS
923942-34-1
Created by admin on Wed Apr 02 19:33:47 GMT 2025 , Edited by admin on Wed Apr 02 19:33:47 GMT 2025
PRIMARY
PUBCHEM
67479596
Created by admin on Wed Apr 02 19:33:47 GMT 2025 , Edited by admin on Wed Apr 02 19:33:47 GMT 2025
PRIMARY
NIH
NCATS
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