Products 887945-96-2

CAS 887945-96-2 appears in our catalog under these names: Febuxostat metabolite 67M-1, Febuxostat 67M-1, >95% (HPLC). Offered by: Chemat Brand, TRC. Available pack sizes: on request, 10mg, 25mg, 5mg.

Febuxostat metabolite 67M-1
Chemat Brand
  • size: on request
  • Variants: 1
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Febuxostat 67M-1, >95% (HPLC)
TRC
  • size: 10mg, 25mg, 5mg
  • Variants: 3
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Structural formula: {0} (CAS {1})

2-[3-cyano-4-(3-hydroxy-2-methylpropoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid (CAS 887945-96-2) is a chemical compound with the molecular formula C16H16N2O4S and a molecular weight of 332.4 g/mol. IUPAC name: 2-[3-cyano-4-(3-hydroxy-2-methylpropoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid. InChIKey: FPODSLPQWIIKKI-UHFFFAOYSA-N.

Identity
Molecular formulaC16H16N2O4S
Molecular weight332.4 g/mol
IUPAC name2-[3-cyano-4-(3-hydroxy-2-methylpropoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid
InChIKeyFPODSLPQWIIKKI-UHFFFAOYSA-N
SMILESCC1=C(SC(=N1)C2=CC(=C(C=C2)OCC(C)CO)C#N)C(=O)O

Computed by PubChem (NCBI)

Synonyms: Febuxostat 67M-1, 3-Hydroxyfebuxostat, (+/-)-, Febuxostat (67m-1), (+/-)-3-hydroxyfebuxostat, orb1741043, 3-Hydroxyfebuxostat (67M-1)
Isomers (same molecular formula)
(E)-N-methoxy-3-[3-(phenylsulfamoyl)phenyl]prop-2-enamide C16H16N2O4S
(6R,7R)-3-methyl-8-oxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid C16H16N2O4S
2-[3-cyano-4-(2-methylpropoxy)phenyl]-4-methyl-1-oxo-1,3-thiazole-5-carboxylic acid C16H16N2O4S
2-[3-cyano-4-(2-hydroxy-2-methylpropoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid C16H16N2O4S
N-[4-(4-acetamido-2,3,5,6-tetradeuteriophenyl)sulfonyl-2,3,5,6-tetradeuteriophenyl]acetamide C16H16N2O4S
1-benzyl-4-hydroxy-4-(4-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxylic acid C16H16N2O4S