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Details

Stereochemistry ACHIRAL
Molecular Formula C11H8BrO4.Na
Molecular Weight 307.073
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of SODIUM BROMEBRATE

SMILES

[Na+].COC1=CC=C(C=C1)C(=O)C(\Br)=C/C([O-])=O

InChI

InChIKey=DVDCIQWIGOVWEX-MLBSPLJJSA-M
InChI=1S/C11H9BrO4.Na/c1-16-8-4-2-7(3-5-8)11(15)9(12)6-10(13)14;/h2-6H,1H3,(H,13,14);/q;+1/p-1/b9-6+;

HIDE SMILES / InChI

Approval Year

Name Type Language
SODIUM BROMEBRATE
Common Name English
NSC-104801
Code English
CYTEMBENA
Brand Name English
BROMEBRIC ACID SODIUM SALT
Common Name English
CYTEMBENE
Brand Name English
2-BUTENOIC ACID, 3-BROMO-4-(4-METHOXYPHENYL)-4-OXO-, SODIUM SALT (1:1), (2E)-
Systematic Name English
(E)-3-(P-ANISOYL)-3-BROMOACRYLIC ACID, SODIUM SALT
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C272
Created by admin on Sat Dec 16 09:25:19 UTC 2023 , Edited by admin on Sat Dec 16 09:25:19 UTC 2023
Code System Code Type Description
EPA CompTox
DTXSID40273998
Created by admin on Sat Dec 16 09:25:19 UTC 2023 , Edited by admin on Sat Dec 16 09:25:19 UTC 2023
PRIMARY
CAS
21739-91-3
Created by admin on Sat Dec 16 09:25:19 UTC 2023 , Edited by admin on Sat Dec 16 09:25:19 UTC 2023
PRIMARY
FDA UNII
9V238C7BMX
Created by admin on Sat Dec 16 09:25:19 UTC 2023 , Edited by admin on Sat Dec 16 09:25:19 UTC 2023
PRIMARY
PUBCHEM
23665583
Created by admin on Sat Dec 16 09:25:19 UTC 2023 , Edited by admin on Sat Dec 16 09:25:19 UTC 2023
PRIMARY
SMS_ID
100000092633
Created by admin on Sat Dec 16 09:25:19 UTC 2023 , Edited by admin on Sat Dec 16 09:25:19 UTC 2023
PRIMARY
NCI_THESAURUS
C1360
Created by admin on Sat Dec 16 09:25:19 UTC 2023 , Edited by admin on Sat Dec 16 09:25:19 UTC 2023
PRIMARY NCIT
HSDB
4134
Created by admin on Sat Dec 16 09:25:19 UTC 2023 , Edited by admin on Sat Dec 16 09:25:19 UTC 2023
PRIMARY
CAS
16170-75-5
Created by admin on Sat Dec 16 09:25:19 UTC 2023 , Edited by admin on Sat Dec 16 09:25:19 UTC 2023
NON-SPECIFIC STEREOCHEMISTRY
NSC
104801
Created by admin on Sat Dec 16 09:25:19 UTC 2023 , Edited by admin on Sat Dec 16 09:25:19 UTC 2023
PRIMARY
EVMPD
SUB26045
Created by admin on Sat Dec 16 09:25:19 UTC 2023 , Edited by admin on Sat Dec 16 09:25:19 UTC 2023
PRIMARY