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

Details

Stereochemistry ACHIRAL
Molecular Formula C7H9N2O3S.Na
Molecular Weight 224.213
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Sodium 2,6-diaminotoluene-3-sulfonate

SMILES

[Na+].CC1=C(N)C=CC(=C1N)S([O-])(=O)=O

InChI

InChIKey=BBGQOMSAZOPRBP-UHFFFAOYSA-M
InChI=1S/C7H10N2O3S.Na/c1-4-5(8)2-3-6(7(4)9)13(10,11)12;/h2-3H,8-9H2,1H3,(H,10,11,12);/q;+1/p-1

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
Sodium 2,6-diaminotoluene-3-sulfonate
Systematic Name English
Benzenesulfonic acid, 2,4-diamino-3-methyl-, sodium salt
Preferred Name English
Sodium 2,6-diaminotoluene-3-sulphonate
Systematic Name English
Benzenesulfonic acid, 2,4-diamino-3-methyl-, sodium salt (1:1)
Systematic Name English
Code System Code Type Description
FDA UNII
JZ4P5Q5GQH
Created by admin on Tue Apr 01 19:26:06 GMT 2025 , Edited by admin on Tue Apr 01 19:26:06 GMT 2025
PRIMARY
CAS
85135-99-5
Created by admin on Tue Apr 01 19:26:06 GMT 2025 , Edited by admin on Tue Apr 01 19:26:06 GMT 2025
PRIMARY
ECHA (EC/EINECS)
285-721-0
Created by admin on Tue Apr 01 19:26:06 GMT 2025 , Edited by admin on Tue Apr 01 19:26:06 GMT 2025
PRIMARY
EPA CompTox
DTXSID40234266
Created by admin on Tue Apr 01 19:26:06 GMT 2025 , Edited by admin on Tue Apr 01 19:26:06 GMT 2025
PRIMARY
PUBCHEM
23662525
Created by admin on Tue Apr 01 19:26:06 GMT 2025 , Edited by admin on Tue Apr 01 19:26:06 GMT 2025
PRIMARY
NIH
NCATS
PRIVACY NOTICE
ACCESSIBILITY
DISCLAIMER
HHS VULNERABILITY DISCLOSURE
For language access assistance, contact the NCATS Public Information Officer
National Center for Advancing Translational Sciences (NCATS),
6701 Democracy Boulevard, Bethesda MD 20892-4874 • 301-594-8966