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: CCC1=C(C2=CC=CC=C2O1)C(=O)C3=CC(=C(C(=C3)Br)O)BrIsomeric SMILES
SMILES: CCC1=C(C2=CC=CC=C2O1)C(=O)C3=CC(=C(C(=C3)Br)O)BrSynonyms(20)
benzbromarone3562-84-3BenzbromaronUroleapMethanone, (3,5-dibromo-4-hydroxyphenyl)(2-ethyl-3-benzofuranyl)-MJ 10061Benzbromaronum3,5-Dibromo-4-hydroxyphenyl-2-ethyl-3-benzofuranyl ketoneL-2214Benzpromarone2-Ethyl-3-(3,5-dibrom-4-hydroxybenzoyl)benzofuranDTXSID4022652NSC-85433Benzbromarona4POG0RL69O
Data from PubChem (NCBI)
This platform is for informational purposes only and does not constitute medical advice. Always consult a qualified healthcare professional.
Drug Network
Trials and conditions connected to Benzbromarone
Loading drug network...