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Details

Stereochemistry ACHIRAL
Molecular Formula C17H12Br2O4
Molecular Weight 440.083
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 6-Hydroxybenzbromarone

SMILES

CCC1=C(C(=O)C2=CC(Br)=C(O)C(Br)=C2)C3=C(O1)C=C(O)C=C3

InChI

InChIKey=FEXBXMFVRKZOOZ-UHFFFAOYSA-N
InChI=1S/C17H12Br2O4/c1-2-13-15(10-4-3-9(20)7-14(10)23-13)16(21)8-5-11(18)17(22)12(19)6-8/h3-7,20,22H,2H2,1H3

HIDE SMILES / InChI

Approval Year

Unknown
139594
Name Type Language
6-Hydroxybenzbromarone
Common Name English
(3,5-Dibromo-4-hydroxyphenyl)(2-ethyl-6-hydroxy-3-benzofuranyl)methanone
Systematic Name English
Methanone, (3,5-dibromo-4-hydroxyphenyl)(2-ethyl-6-hydroxy-3-benzofuranyl)-
Systematic Name English
Code System Code Type Description
FDA UNII
4M7NUR5V9E
Created by admin on Sat Dec 16 19:15:04 GMT 2023 , Edited by admin on Sat Dec 16 19:15:04 GMT 2023
PRIMARY
CAS
152831-00-0
Created by admin on Sat Dec 16 19:15:04 GMT 2023 , Edited by admin on Sat Dec 16 19:15:04 GMT 2023
PRIMARY
PUBCHEM
10320994
Created by admin on Sat Dec 16 19:15:04 GMT 2023 , Edited by admin on Sat Dec 16 19:15:04 GMT 2023
PRIMARY
PARENT (METABOLITE ACTIVE)
Structure of BENZBROMARONE
NIH
NCATS
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