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Details

Stereochemistry ACHIRAL
Molecular Formula C22H16FN4O3S.Na
Molecular Weight 458.441
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of KUS-121

SMILES

[Na+].CC1=C(C=CC(F)=C1)C2=NC=C(C=C2)\N=N\C3=C(N)C4=CC=CC=C4C(=C3)S([O-])(=O)=O

InChI

InChIKey=OEEZHMGRDYLKGJ-JGUILPGDSA-M
InChI=1S/C22H17FN4O3S.Na/c1-13-10-14(23)6-8-16(13)19-9-7-15(12-25-19)26-27-20-11-21(31(28,29)30)17-4-2-3-5-18(17)22(20)24;/h2-12H,24H2,1H3,(H,28,29,30);/q;+1/p-1/b27-26+;

HIDE SMILES / InChI

Molecular Formula Na
Molecular Weight 22.9898
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C22H16FN4O3S
Molecular Weight 435.451
Charge -1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 19:14:35 GMT 2023
Edited
by admin
on Sat Dec 16 19:14:35 GMT 2023
Record UNII
92Q3DLG6TH
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
KUS-121
Code English
KUS121
Code English
1-Naphthalenesulfonic acid, 4-amino-3-[2-[6-(4-fluoro-2-methylphenyl)-3-pyridinyl]diazenyl]-, sodium salt (1:1)
Systematic Name English
4-Amino-3-[[6-(4-fluoro-2-methylphenyl)pyridin-3-yl]azo]naphthalene-1-sulfonic acid sodium salt
Systematic Name English
Code System Code Type Description
CAS
1357164-52-3
Created by admin on Sat Dec 16 19:14:35 GMT 2023 , Edited by admin on Sat Dec 16 19:14:35 GMT 2023
PRIMARY
FDA UNII
92Q3DLG6TH
Created by admin on Sat Dec 16 19:14:35 GMT 2023 , Edited by admin on Sat Dec 16 19:14:35 GMT 2023
PRIMARY
Related Record Type Details
SOLVATE->ANHYDROUS
PARENT -> SALT/SOLVATE
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ACTIVE MOIETY