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Febuxostat

CAS Registry Number®

144060-53-7

CAS Name

Febuxostat

Molecular Formula

C16H16N2O3S

Molecular Mass

316.37

Cite this Page

Febuxostat.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=144060-53-7 (retrieved 2024-11-24) (CAS RN: 144060-53-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Density (1)

    1.1952 g/cm³

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C16H16N2O3S/c1-9(2)8-21-13-5-4-11(6-12(13)7-17)15-18-10(3)14(22-15)16(19)20/h4-6,9H,8H2,1-3H3,(H,19,20)

InChIKey

InChIKey=BQSJTQLCZDPROO-UHFFFAOYSA-N

SMILES

C(O)(=O)C=1SC(=NC1C)C2=CC(C#N)=C(OCC(C)C)C=C2

Canonical SMILES

N#CC=1C=C(C=CC1OCC(C)C)C2=NC(=C(S2)C(=O)O)C

Other Names for this Substance

  • 5-Thiazolecarboxylic acid, 2-[3-cyano-4-(2-methylpropoxy)phenyl]-4-methyl-
  • 2-[3-Cyano-4-(2-methylpropoxy)phenyl]-4-methyl-5-thiazolecarboxylic acid
  • TEI 6720
  • TMX 67
  • 2-(3-Cyano-4-isobutyloxyphenyl)-4-methyl-5-thiazolecarboxylic acid

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