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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-PQLUHFTBSA-N
InChI=1S/C6H5BrO3/c7-2-1-3(8)5-6(10-5)4(2)9/h1,3,5-6,8H/t3-,5+,6-/m1/s1

HIDE SMILES / InChI

Molecular Formula C6H5BrO3
Molecular Weight 205.006
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 19:20:08 GMT 2023
Edited
by admin
on Sat Dec 16 19:20:08 GMT 2023
Record UNII
4M2NF5S753
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Bromoxone, (-)-
Common Name English
(1S,5R,6S)-3-Bromo-5-hydroxy-7-oxabicyclo[4.1.0]hept-3-en-2-one
Systematic Name English
(-)-Bromoxone
Common Name English
7-Oxabicyclo[4.1.0]hept-3-en-2-one, 3-bromo-5-hydroxy-, (1S,5R,6S)-
Systematic Name English
Code System Code Type Description
FDA UNII
4M2NF5S753
Created by admin on Sat Dec 16 19:20:08 GMT 2023 , Edited by admin on Sat Dec 16 19:20:08 GMT 2023
PRIMARY
PUBCHEM
11974672
Created by admin on Sat Dec 16 19:20:08 GMT 2023 , Edited by admin on Sat Dec 16 19:20:08 GMT 2023
PRIMARY
CAS
913987-55-0
Created by admin on Sat Dec 16 19:20:08 GMT 2023 , Edited by admin on Sat Dec 16 19:20:08 GMT 2023
PRIMARY
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