Molecular Identity
benzbromarone
(3,5-dibromo-4-hydroxyphenyl)-(2-ethyl-1-benzofuran-3-yl)methanone
PubChem CID: 2333
Benzbromarone is 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. It has a role as a uricosuric drug. It is a member of 1-benzofurans and an aromatic ketone. It is functionally related to a 2,6-dibromophenol.
2D Structure
Properties
C17H12Br2O3
Molecular Formula
424.10
Molecular Weight
g/mol
423.9133
Exact Mass
Da
5.7
XLogP
Above Lipinski threshold
50.4
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
3
H-Bond Acceptors
405
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
benzbromarone3562-84-3BenzbromaronUroleapMJ 10061BenzbromaronumMethanone, (3,5-dibromo-4-hydroxyphenyl)(2-ethyl-3-benzofuranyl)-3,5-Dibromo-4-hydroxyphenyl-2-ethyl-3-benzofuranyl ketoneL-2214Benzpromarone2-Ethyl-3-(3,5-dibrom-4-hydroxybenzoyl)benzofuranNSC-85433BenzbromaronaDTXSID40226524POG0RL69O
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to benzbromarone
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