Preferred Name |
febuxostat |
|
Synonyms |
2-[3-cyano-4-(2-methylpropoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid febuxostat febuxostatum TEI-6720 2-(3-cyano-4-isobutoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid TMX 67 Feburic Goturic TMX-67 Donifoxate Goutex Adenuric Zurig Uloric TEI 6720 Febuday |
|
Definitions |
A 1,3-thiazolemonocarboxylic acid that is 4-methyl-1,3-thiazole-5-carboxylic acid which is substituted by a 3-cyano-4-(2-methylpropoxy)phenyl group at position 2. It is an orally-active, potent, and selective xanthine oxidase inhibitor used for the treatment of chronic hyperuricaemia in patients with gout. |
|
ID |
http://purl.obolibrary.org/obo/CHEBI_31596 |
|
charge |
0 |
|
database_cross_reference |
PMID:31332638 Wikipedia:Febuxostat PMID:31335677 KEGG:D01206 PDBeChem:TEI PMID:31447893 PMID:31449565 PMID:31560952 PMID:25724536 CAS:144060-53-7 DrugBank:DB04854 PMID:31499267 Drug_Central:1137 PMID:31378626 LINCS:LSM-3064 PMID:30919894 PMID:30844048 PMID:31531831 PMID:31267805 |
|
definition |
A 1,3-thiazolemonocarboxylic acid that is 4-methyl-1,3-thiazole-5-carboxylic acid which is substituted by a 3-cyano-4-(2-methylpropoxy)phenyl group at position 2. It is an orally-active, potent, and selective xanthine oxidase inhibitor used for the treatment of chronic hyperuricaemia in patients with gout. |
|
formula |
C16H16N2O3S |
|
has role | ||
has_alternative_id |
CHEBI:45943 |
|
has_exact_synonym |
2-[3-cyano-4-(2-methylpropoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid |
|
has_obo_namespace |
chebi_ontology |
|
has_related_synonym |
febuxostat febuxostatum TEI-6720 2-(3-cyano-4-isobutoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid TMX 67 Feburic Goturic TMX-67 Donifoxate Goutex Adenuric Zurig Uloric TEI 6720 Febuday |
|
id |
CHEBI:31596 |
|
in_subset | ||
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 |
BQSJTQLCZDPROO-UHFFFAOYSA-N |
|
label |
febuxostat |
|
mass |
316.380 |
|
monoisotopicmass |
316.08816 |
|
notation |
CHEBI:31596 |
|
prefLabel |
febuxostat |
|
smiles |
C1(=CC(=C(C=C1)OCC(C)C)C#N)C2=NC(=C(S2)C(=O)O)C |
|
treeView |
http://purl.obolibrary.org/obo/CHEBI_48652 |
|
subClassOf |
http://purl.obolibrary.org/obo/CHEBI_48652 |