Febuxostat n-butyl isomer

• CAT Number: I014939
• CAS Number: 1657014-33-9
• Molecular Formula: C16H16N2O3S
• Molecular Weight: 316.37
• Purity: ≥95%
• Synonyms: 2-(4-butoxy-3-cyanophenyl)-4-methyl-1,3-thiazole-5-carboxylic acid
• InChI: InChI=1S/C16H16N2O3S/c1-3-4-7-21-13-6-5-11(8-12(13)9-17)15-18-10(2)14(22-15)16(19)20/h5-6,8H,3-4,7H2,1-2H3,(H,19,20)
• InChIKey: KFYGOMDVRIXGBJ-UHFFFAOYSA-N
• SMILES: CCCCOC1=C(C=C(C=C1)C2=NC(=C(S2)C(=O)O)C)C#N

Febuxostat n-butyl isomer is an impurity of Febuxostat. Febuxostat is selective xanthine oxidase inhibitor with a Ki of 0.6 nM[1].

Reference

[1]. Mayer MD, et al. Pharmacokinetics and pharmacodynamics of febuxostat, a new non-purine selective inhibitor of xanthine oxidase in subjects with renal impairment. Am J Ther. 2005;12(1):22-34.
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