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Details

Stereochemistry RACEMIC
Molecular Formula C12H9BrNO2S.Na
Molecular Weight 334.164
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BROFEZIL SODIUM

SMILES

[Na+].CC(C([O-])=O)C1=NC(=CS1)C2=CC=C(Br)C=C2

InChI

InChIKey=IHVBFZXHHPJQRM-UHFFFAOYSA-M
InChI=1S/C12H10BrNO2S.Na/c1-7(12(15)16)11-14-10(6-17-11)8-2-4-9(13)5-3-8;/h2-7H,1H3,(H,15,16);/q;+1/p-1

HIDE SMILES / InChI

Molecular Formula Na
Molecular Weight 22.98976928
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C12H9BrNO2S
Molecular Weight 311.174
Charge -1
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Substance Class Chemical
Created
by admin
on Mon Mar 31 23:00:54 GMT 2025
Edited
by admin
on Mon Mar 31 23:00:54 GMT 2025
Record UNII
HV20187R6R
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BROFEZIL SODIUM
Common Name English
ICI 54,594
Preferred Name English
ICI-54594
Code English
2-THIAZOLEACETIC ACID, 4-(P-BROMOPHENYL)-.ALPHA.-METHYL-, SODIUM SALT (8CI
Systematic Name English
2-THIAZOLEACETIC ACID, 4-(4-BROMOPHENYL)-.ALPHA.-METHYL-, SODIUM SALT (1:1)
Systematic Name English
Code System Code Type Description
FDA UNII
HV20187R6R
Created by admin on Mon Mar 31 23:00:54 GMT 2025 , Edited by admin on Mon Mar 31 23:00:54 GMT 2025
PRIMARY
CAS
17969-70-9
Created by admin on Mon Mar 31 23:00:54 GMT 2025 , Edited by admin on Mon Mar 31 23:00:54 GMT 2025
PRIMARY
PUBCHEM
124037366
Created by admin on Mon Mar 31 23:00:54 GMT 2025 , Edited by admin on Mon Mar 31 23:00:54 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
Related Record Type Details
ACTIVE MOIETY