U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C20H17N4O5S.Na
Molecular Weight 448.428
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 2
Charge 0

SHOW SMILES / InChI
Structure of SODIUM 4-((3-(2-ETHYLPHENYL)DIAZENYL)-2,4-DIHYDROXYPHENYL)DIAZENYL)BENZENESULFONATE

SMILES

[Na+].CCC1=C(C=CC=C1)\N=N\C2=C(O)C=CC(\N=N\C3=CC=C(C=C3)S([O-])(=O)=O)=C2O

InChI

InChIKey=CQIDYMPRHNZTSA-BAYNMDCWSA-M
InChI=1S/C20H18N4O5S.Na/c1-2-13-5-3-4-6-16(13)22-24-19-18(25)12-11-17(20(19)26)23-21-14-7-9-15(10-8-14)30(27,28)29;/h3-12,25-26H,2H2,1H3,(H,27,28,29);/q;+1/p-1/b23-21+,24-22+;

HIDE SMILES / InChI

Molecular Formula C20H17N4O5S
Molecular Weight 425.438
Charge -1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 2
Optical Activity NONE

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

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 15:56:58 GMT 2023
Edited
by admin
on Fri Dec 15 15:56:58 GMT 2023
Record UNII
584V385AXZ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SODIUM 4-((3-(2-ETHYLPHENYL)DIAZENYL)-2,4-DIHYDROXYPHENYL)DIAZENYL)BENZENESULFONATE
Common Name English
Code System Code Type Description
FDA UNII
584V385AXZ
Created by admin on Fri Dec 15 15:56:58 GMT 2023 , Edited by admin on Fri Dec 15 15:56:58 GMT 2023
PRIMARY