loading...| Preferred Name |
benzbromarone |
|
| Synonyms |
Uroleap (TN) 2-ethyl-3-(3,5-dibrom-4-hydroxybenzoyl)benzofuran 3,5-dibromo-4-hydroxyphenyl-2-ethyl-3-benzofuranyl ketone (3,5-dibromo-4-hydroxyphenyl)(2-ethyl-1-benzofuran-3-yl)methanone Benzbromarone |
|
| Definitions |
1-Benzofuran substituted at C-2 and C-3 by an ethyl group and a 3,5-dibromo-4-hydroxybenzoyl group respectively. An inhibitor of CYP2C9, it is used as an anti-gout medication. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_3023 |
|
| alternative label |
Uroleap (TN) 2-ethyl-3-(3,5-dibrom-4-hydroxybenzoyl)benzofuran 3,5-dibromo-4-hydroxyphenyl-2-ethyl-3-benzofuranyl ketone (3,5-dibromo-4-hydroxyphenyl)(2-ethyl-1-benzofuran-3-yl)methanone Benzbromarone |
|
| charge |
0 |
|
| database_cross_reference |
Drug_Central:318 LINCS:LSM-2239 PMID:27391386 KEGG:D01056 PMID:28131653 PMID:26792818 PMID:18636784 PMID:28202260 PMID:28166217 CAS:3562-84-3 Beilstein:273668 PMID:7661033 PMID:26693855 |
|
| definition |
1-Benzofuran substituted at C-2 and C-3 by an ethyl group and a 3,5-dibromo-4-hydroxybenzoyl group respectively. An inhibitor of CYP2C9, it is used as an anti-gout medication. |
|
| formula |
C17H12Br2O3 |
|
| has functional parent | ||
| has role | ||
| has_exact_synonym |
(3,5-dibromo-4-hydroxyphenyl)(2-ethyl-1-benzofuran-3-yl)methanone Benzbromarone |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
Uroleap (TN) 2-ethyl-3-(3,5-dibrom-4-hydroxybenzoyl)benzofuran 3,5-dibromo-4-hydroxyphenyl-2-ethyl-3-benzofuranyl ketone |
|
| has_RxCUI |
1385 |
|
| id |
CHEBI:3023 |
|
| in_subset | ||
| inchi |
InChI=1S/C17H12Br2O3/c1-2-13-15(10-5-3-4-6-14(10)22-13)16(20)9-7-11(18)17(21)12(19)8-9/h3-8,21H,2H2,1H3 |
|
| inchikey |
WHQCHUCQKNIQEC-UHFFFAOYSA-N |
|
| label |
Benzbromarone benzbromarone |
|
| mass |
424.08338 |
|
| monoisotopicmass |
421.91532 |
|
| notation |
CHEBI:3023 |
|
| prefLabel |
benzbromarone |
|
| smiles |
CCc1oc2ccccc2c1C(=O)c1cc(Br)c(O)c(Br)c1 |
|
| subClassOf |