ChemicalBook--->CAS DataBase List--->1335202-60-2

1335202-60-2

1335202-60-2 Structure

1335202-60-2 Structure
IdentificationBack Directory
[Name]

Febuxostat Impurity 14
[CAS]

1335202-60-2
[Synonyms]

Febuxostat-58
Febuxostat Impurity K
Descarboxyl Febuxostat
Febuxostat Impurity 14
Febuxostat Impurities9
Febuxostat impurities 14
Febuxostat Descarboxy Impurity
2-(4-isobutoxy-3-isocyanophenyl)-4-methylthiazole
2-(2-Methylpropoxy)-5-(4-methyl-2-thiazolyl)benzonitrile
Benzonitrile, 2-(2-methylpropoxy)-5-(4-methyl-2-thiazolyl)-
Febuxostat Impurity 58/Febuxostat Descarboxy Impurity/2-isobutoxy-5-(4-methylthiazol-2-yl)benzonitrile
[Molecular Formula]

C15H16N2OS
[MDL Number]

MFCD29919288
[MOL File]

1335202-60-2.mol
[Molecular Weight]

272.37
Chemical PropertiesBack Directory
[Melting point ]

84-86°C
[Boiling point ]

435.5±55.0 °C(Predicted)
[density ]

1.17±0.1 g/cm3(Predicted)
[storage temp. ]

-20°C Freezer, Under inert atmosphere
[solubility ]

Chloroform (Slightly), Ethyl Acetate (Slightly)
[form ]

Solid
[pka]

2.48±0.10(Predicted)
[color ]

Off-White to Pale Pink
[InChI]

InChI=1S/C15H16N2OS/c1-10(2)8-18-14-5-4-12(6-13(14)7-16)15-17-11(3)9-19-15/h4-6,9-10H,8H2,1-3H3
[InChIKey]

SZCKORPTGMXHLL-UHFFFAOYSA-N
[SMILES]

C(#N)C1=CC(C2=NC(C)=CS2)=CC=C1OCC(C)C
Safety DataBack Directory
[Symbol(GHS) ]


GHS07
[Signal word ]

Warning
[Hazard statements ]

H302+H312+H332-H315-H319
[Precautionary statements ]

P501-P261-P270-P271-P264-P280-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P312+P330-P302+P352+P312-P304+P340+P312
Hazard InformationBack Directory
[Uses]

Descarboxyl Febuxostat is an impurity of Febuxostat (F229000), a xanthine oxidase/xanthine dehydrogenase inhibitor. Used for treatment of hyperuricemia and chronic gout.
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