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Details

Stereochemistry ACHIRAL
Molecular Formula C17H12Br2O3
Molecular Weight 424.083
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BENZBROMARONE

SMILES

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

InChI

InChIKey=WHQCHUCQKNIQEC-UHFFFAOYSA-N
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

HIDE SMILES / InChI
Molecular Formula C17H12Br2O3
Molecular Weight 424.083
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Unknown
86413
Substance Class Chemical
Created
by admin
on Fri Dec 15 15:03:28 UTC 2023
Edited
by admin
on Fri Dec 15 15:03:28 UTC 2023
Record UNII
4POG0RL69O
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BENZBROMARONE
EP   INN   MART.   MI   USAN   WHO-DD  
USAN   INN  
Official Name English
MJ-10061
Code English
BENZBROMARONE [USAN]
Common Name English
3,5-Dibromo-4-hydroxyphenyl-2-ethyl-3-benzofuranyl ketone
Systematic Name English
BENZBROMARON
Common Name English
BENZBROMARONE [EP MONOGRAPH]
Common Name English
Benzbromarone [WHO-DD]
Common Name English
benzbromarone [INN]
Common Name English
BENZPROMARONE
Common Name English
MJ 10061
Code English
L-2214
Code English
BENZBROMARONE [MI]
Common Name English
BENZBROMARONE [JAN]
Common Name English
METHANONE, (3,5-DIBROMO-4-HYDROXYPHENYL)(2-ETHYL-3-BENZOFURANYL)-
Systematic Name English
UROLEAP
Brand Name English
NSC-85433
Code English
BENZBROMARONE [MART.]
Common Name English
Classification Tree Code System Code
WHO-ATC M04AB03
Created by admin on Fri Dec 15 15:03:28 UTC 2023 , Edited by admin on Fri Dec 15 15:03:28 UTC 2023
WHO-VATC QM04AB03
Created by admin on Fri Dec 15 15:03:28 UTC 2023 , Edited by admin on Fri Dec 15 15:03:28 UTC 2023
LIVERTOX NBK548732
Created by admin on Fri Dec 15 15:03:28 UTC 2023 , Edited by admin on Fri Dec 15 15:03:28 UTC 2023
NCI_THESAURUS C921
Created by admin on Fri Dec 15 15:03:28 UTC 2023 , Edited by admin on Fri Dec 15 15:03:28 UTC 2023
Code System Code Type Description
WIKIPEDIA
BENZBROMARONE
Created by admin on Fri Dec 15 15:03:28 UTC 2023 , Edited by admin on Fri Dec 15 15:03:28 UTC 2023
PRIMARY
DRUG BANK
DB12319
Created by admin on Fri Dec 15 15:03:28 UTC 2023 , Edited by admin on Fri Dec 15 15:03:28 UTC 2023
PRIMARY
DRUG CENTRAL
318
Created by admin on Fri Dec 15 15:03:28 UTC 2023 , Edited by admin on Fri Dec 15 15:03:28 UTC 2023
PRIMARY
EPA CompTox
DTXSID4022652
Created by admin on Fri Dec 15 15:03:28 UTC 2023 , Edited by admin on Fri Dec 15 15:03:28 UTC 2023
PRIMARY
ChEMBL
CHEMBL388590
Created by admin on Fri Dec 15 15:03:28 UTC 2023 , Edited by admin on Fri Dec 15 15:03:28 UTC 2023
PRIMARY
ECHA (EC/EINECS)
222-630-7
Created by admin on Fri Dec 15 15:03:28 UTC 2023 , Edited by admin on Fri Dec 15 15:03:28 UTC 2023
PRIMARY
CAS
3562-84-3
Created by admin on Fri Dec 15 15:03:28 UTC 2023 , Edited by admin on Fri Dec 15 15:03:28 UTC 2023
PRIMARY
MERCK INDEX
m2337
Created by admin on Fri Dec 15 15:03:28 UTC 2023 , Edited by admin on Fri Dec 15 15:03:28 UTC 2023
PRIMARY Merck Index
FDA UNII
4POG0RL69O
Created by admin on Fri Dec 15 15:03:28 UTC 2023 , Edited by admin on Fri Dec 15 15:03:28 UTC 2023
PRIMARY
PUBCHEM
2333
Created by admin on Fri Dec 15 15:03:28 UTC 2023 , Edited by admin on Fri Dec 15 15:03:28 UTC 2023
PRIMARY
NSC
85433
Created by admin on Fri Dec 15 15:03:28 UTC 2023 , Edited by admin on Fri Dec 15 15:03:28 UTC 2023
PRIMARY
EVMPD
SUB05743MIG
Created by admin on Fri Dec 15 15:03:28 UTC 2023 , Edited by admin on Fri Dec 15 15:03:28 UTC 2023
PRIMARY
RXCUI
1385
Created by admin on Fri Dec 15 15:03:28 UTC 2023 , Edited by admin on Fri Dec 15 15:03:28 UTC 2023
PRIMARY RxNorm
SMS_ID
100000086362
Created by admin on Fri Dec 15 15:03:28 UTC 2023 , Edited by admin on Fri Dec 15 15:03:28 UTC 2023
PRIMARY
NCI_THESAURUS
C74412
Created by admin on Fri Dec 15 15:03:28 UTC 2023 , Edited by admin on Fri Dec 15 15:03:28 UTC 2023
PRIMARY
INN
1427
Created by admin on Fri Dec 15 15:03:28 UTC 2023 , Edited by admin on Fri Dec 15 15:03:28 UTC 2023
PRIMARY
MESH
D001553
Created by admin on Fri Dec 15 15:03:28 UTC 2023 , Edited by admin on Fri Dec 15 15:03:28 UTC 2023
PRIMARY
CHEBI
3023
Created by admin on Fri Dec 15 15:03:28 UTC 2023 , Edited by admin on Fri Dec 15 15:03:28 UTC 2023
PRIMARY
Related Record Type Details
OATL-4
TRANSPORTER -> INHIBITOR
OATL-4
TARGET -> INHIBITOR
IC50
Related Record Type Details
Structure of 1'-HYDROXYBENZBROMARONE, (±)-
METABOLITE -> PARENT
Structure of 6-Hydroxybenzbromarone
METABOLITE ACTIVE -> PARENT
MAJOR
FECAL; PLASMA
Related Record Type Details
Structure of BENZBROMARONE
ACTIVE MOIETY
NIH
NCATS
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