Sodium 2-[[4-[(2-chlorobenzyl)ethylamino]-m-tolyl]azo]benzothiazole-6-sulfonate

Details

Stereochemistry	ACHIRAL
Molecular Formula	C23H20ClN4O3S2.Na
Molecular Weight	523.003
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of Sodium 2-[[4-[(2-chlorobenzyl)ethylamino]-m-tolyl]azo]benzothiazole-6-sulfonate

Structure Search

SMILES

[Na+].CCN(CC1=CC=CC=C1Cl)C2=CC=C(N=NC3=NC4=CC=C(C=C4S3)S([O-])(=O)=O)C(C)=C2

InChI

InChIKey=ANGVLEAZYHROFT-JGUILPGDSA-M

InChI=1S/C23H21ClN4O3S2.Na/c1-3-28(14-16-6-4-5-7-19(16)24)17-8-10-20(15(2)12-17)26-27-23-25-21-11-9-18(33(29,30)31)13-22(21)32-23;/h4-13H,3,14H2,1-2H3,(H,29,30,31);/q;+1/p-1/b27-26+;

HIDE SMILES / InChI

Molecular Formula	C23H20ClN4O3S2
Molecular Weight	500.013
Charge	-1
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	1
Optical Activity	NONE

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

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 17:30:15 GMT 2025` Edited by `admin` on `Wed Apr 02 17:30:15 GMT 2025`
Record UNII	TA23KD2TGG
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Sodium 2-[[4-[(2-chlorobenzyl)ethylamino]-m-tolyl]azo]benzothiazole-6-sulfonate

Systematic Name

English

6-Benzothiazolesulfonic acid, 2-[2-[4-[[(2-chlorophenyl)methyl]ethylamino]-2-methylphenyl]diazenyl]-, sodium salt (1:1)

Preferred Name

English

6-Benzothiazolesulfonic acid, 2-[[4-[[(2-chlorophenyl)methyl]ethylamino]-2-methylphenyl]azo]-, sodium salt

Common Name

English

Code System Code Type Description

PUBCHEM

23674216

Created by admin on Wed Apr 02 17:30:15 GMT 2025 , Edited by admin on Wed Apr 02 17:30:15 GMT 2025

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CAS

70693-60-6

Created by admin on Wed Apr 02 17:30:15 GMT 2025 , Edited by admin on Wed Apr 02 17:30:15 GMT 2025

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FDA UNII

TA23KD2TGG

Created by admin on Wed Apr 02 17:30:15 GMT 2025 , Edited by admin on Wed Apr 02 17:30:15 GMT 2025

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EPA CompTox

DTXSID00887712

Created by admin on Wed Apr 02 17:30:15 GMT 2025 , Edited by admin on Wed Apr 02 17:30:15 GMT 2025

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Related Record Type Details


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2-[[4-[[(2-Chlorobenzyl)]ethylamino]-O-tolyl]azo]benzothiazole-6-sulfonic acid

PARENT -> SALT/SOLVATE

Amount: