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

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 C7H9N2O3S
Molecular Weight 201.223
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 Sat Dec 16 12:33:57 GMT 2023
Edited
by admin
on Sat Dec 16 12:33:57 GMT 2023
Record UNII
JZ4P5Q5GQH
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Sodium 2,6-diaminotoluene-3-sulfonate
Systematic Name English
Sodium 2,6-diaminotoluene-3-sulphonate
Systematic Name English
Benzenesulfonic acid, 2,4-diamino-3-methyl-, sodium salt
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 Sat Dec 16 12:33:57 GMT 2023 , Edited by admin on Sat Dec 16 12:33:57 GMT 2023
PRIMARY
CAS
85135-99-5
Created by admin on Sat Dec 16 12:33:57 GMT 2023 , Edited by admin on Sat Dec 16 12:33:57 GMT 2023
PRIMARY
ECHA (EC/EINECS)
285-721-0
Created by admin on Sat Dec 16 12:33:57 GMT 2023 , Edited by admin on Sat Dec 16 12:33:57 GMT 2023
PRIMARY
EPA CompTox
DTXSID40234266
Created by admin on Sat Dec 16 12:33:57 GMT 2023 , Edited by admin on Sat Dec 16 12:33:57 GMT 2023
PRIMARY
PUBCHEM
23662525
Created by admin on Sat Dec 16 12:33:57 GMT 2023 , Edited by admin on Sat Dec 16 12:33:57 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE