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Details

Stereochemistry RACEMIC
Molecular Formula C17H12Br2O4
Molecular Weight 440.0825
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1'-HYDROXYBENZBROMARONE, (+/-)-

SMILES

CC(c1c(c2ccccc2o1)C(=O)c3cc(c(c(c3)Br)O)Br)O

InChI

InChIKey=ZYHWDBVIUWBPCO-UHFFFAOYSA-N
InChI=1S/C17H12Br2O4/c1-8(20)17-14(10-4-2-3-5-13(10)23-17)15(21)9-6-11(18)16(22)12(19)7-9/h2-8,20,22H,1H3

HIDE SMILES / InChI

Molecular Formula C17H12Br2O4
Molecular Weight 440.0825
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Fri Jun 25 22:23:06 UTC 2021
Edited
by admin
on Fri Jun 25 22:23:06 UTC 2021
Record UNII
7KWS230YJ1
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1'-HYDROXYBENZBROMARONE, (+/-)-
Common Name English
1'-HYDROXYBENZBROMARONE
Common Name English
BENZBROMARONE METABOLITE M1
Common Name English
(3,5-DIBROMO-4-HYDROXYPHENYL)(2-(1-HYDROXYETHYL)-3-BENZOFURANYL)METHANONE
Systematic Name English
METHANONE, (3,5-DIBROMO-4-HYDROXYPHENYL)(2-(1-HYDROXYETHYL)-3-BENZOFURANYL)-
Systematic Name English
Code System Code Type Description
FDA UNII
7KWS230YJ1
Created by admin on Fri Jun 25 22:23:06 UTC 2021 , Edited by admin on Fri Jun 25 22:23:06 UTC 2021
PRIMARY
PUBCHEM
130524
Created by admin on Fri Jun 25 22:23:06 UTC 2021 , Edited by admin on Fri Jun 25 22:23:06 UTC 2021
PRIMARY
CAS
125729-46-6
Created by admin on Fri Jun 25 22:23:06 UTC 2021 , Edited by admin on Fri Jun 25 22:23:06 UTC 2021
PRIMARY
Related Record Type Details
ACTIVE ENANTIOMER->RACEMATE
ACTIVE ENANTIOMER->RACEMATE
Related Record Type Details
PARENT -> METABOLITE