ChemicalBook--->CAS DataBase List--->1239233-86-3

1239233-86-3

1239233-86-3 Structure

1239233-86-3 Structure
IdentificationBack Directory
[Name]

2-[3-(AMinocarbonyl)-4-(2-Methylpropoxy)phenyl]-4-Methyl-5-thiazolecarboxylic Acid
[CAS]

1239233-86-3
[Synonyms]

Febuxostat-1
Febuxostat Amide
Febuxostat Impurity D
Febuxostat Amide Impurity
Febuxostat Impurity 4 (A)
Febuxostat Related CoMpound
Febuxostat Related Compound A
2-(3-carbamoyl-4-isobutoxyphenyl)
Febuxostat Related Compound (Febuxostat Impurity 4 )
2-(3-Carbamoyl-4-isobutoxyphenyl)-4-methylthiazole-5-carboxylic acid
2-[3-carbamoyl-4-(2-methylpropoxy)phenyl]-4-methyl-5-thiazole carboxylic acid
2-[3-(AMinocarbonyl)-4-(2-Methylpropoxy)phenyl]-4-Methyl-5-thiazolecarboxylic Acid
5-Thiazolecarboxylic acid, 2-[3-(aminocarbonyl)-4-(2-methylpropoxy)phenyl]-4-methyl-
Febuxostat Impurity 10/Febuxostat Amide Impurity/2-(3-carbamoyl-4-isobutoxyphenyl)-4-methylthiazole-5-carboxylic acid
[Molecular Formula]

C16H18N2O4S
[MDL Number]

MFCD28138169
[MOL File]

1239233-86-3.mol
[Molecular Weight]

334.39
Chemical PropertiesBack Directory
[Melting point ]

225-228°C
[Boiling point ]

538.9±60.0 °C(Predicted)
[density ]

1.291±0.06 g/cm3(Predicted)
[storage temp. ]

Refrigerator
[solubility ]

DMSO (Slightly), Methanol (Slightly)
[form ]

Solid
[pka]

1.22±0.37(Predicted)
[color ]

White to Off-White
[InChI]

InChI=1S/C16H18N2O4S/c1-8(2)7-22-12-5-4-10(6-11(12)14(17)19)15-18-9(3)13(23-15)16(20)21/h4-6,8H,7H2,1-3H3,(H2,17,19)(H,20,21)
[InChIKey]

ITMGNZBRUWAGOZ-UHFFFAOYSA-N
[SMILES]

S1C(C(O)=O)=C(C)N=C1C1=CC=C(OCC(C)C)C(C(N)=O)=C1
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319
[Precautionary statements ]

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

2-[3-(Aminocarbonyl)-4-(2-methylpropoxy)phenyl]-4-methyl-5-thiazolecarboxylic acid is an impurity of Febuxostat (F229000), an xanthine oxidase/xanthine dehydrogenase inhibitor used for the treatment of hyperuricemia and chronic gout.
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