Bromoxone, (+/-)-

Details

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

SHOW SMILES / InChI

Structure Search

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 18:18:49 GMT 2023` Edited by `admin` on `Sat Dec 16 18:18:49 GMT 2023`
Record UNII	D6NP2NDX3X
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Bromoxone, (+/-)-

Common Name

English

(±)-Bromoxone

Common Name

English

rel-(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)-rel-

Systematic Name

English

Code System Code Type Description

PUBCHEM

11974672

Created by admin on Sat Dec 16 18:18:49 GMT 2023 , Edited by admin on Sat Dec 16 18:18:49 GMT 2023

PRIMARY

FDA UNII

D6NP2NDX3X

Created by admin on Sat Dec 16 18:18:49 GMT 2023 , Edited by admin on Sat Dec 16 18:18:49 GMT 2023

PRIMARY

CAS

160497-69-8

Created by admin on Sat Dec 16 18:18:49 GMT 2023 , Edited by admin on Sat Dec 16 18:18:49 GMT 2023

PRIMARY

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