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Details

Stereochemistry ABSOLUTE
Molecular Formula C6H5BrO3
Molecular Weight 205.006
Optical Activity ( + )
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Bromoxone, (+)-

SMILES

[H][C@]12O[C@@]1([H])C(=O)C(Br)=C[C@@H]2O

InChI

InChIKey=LCDPFZRKMYSWHQ-LFRDXLMFSA-N
InChI=1S/C6H5BrO3/c7-2-1-3(8)5-6(10-5)4(2)9/h1,3,5-6,8H/t3-,5+,6-/m0/s1

HIDE SMILES / InChI

Approval Year

Unknown
139594
Name Type Language
Bromoxone, (+)-
Common Name English
(+)-Bromoxone
Common Name English
(1R,5S,6R)-3-Bromo-5-hydroxy-7-oxabicyclo[4.1.0]hept-3-en-2-one
Systematic Name English
7-Oxabicyclo[4.1.0]hept-3-en-2-one, 3-bromo-5-hydroxy-, (1R,5S,6R)-
Systematic Name English
Code System Code Type Description
PUBCHEM
10375662
Created by admin on Sat Dec 16 19:29:53 GMT 2023 , Edited by admin on Sat Dec 16 19:29:53 GMT 2023
PRIMARY
CAS
110786-63-5
Created by admin on Sat Dec 16 19:29:53 GMT 2023 , Edited by admin on Sat Dec 16 19:29:53 GMT 2023
PRIMARY
FDA UNII
BKH7SR66KY
Created by admin on Sat Dec 16 19:29:53 GMT 2023 , Edited by admin on Sat Dec 16 19:29:53 GMT 2023
PRIMARY
SUBSTANCE RECORD
Structure of Bromoxone, (+)-
NIH
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