Sodium 4-((4-amino-9,10-dihydro-3-methyl-9,10-dioxo-1-anthryl)amino)toluene-2-sulphonate

Details

Stereochemistry	ACHIRAL
Molecular Formula	C22H17N2O5S.Na
Molecular Weight	444.436
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Sodium 4-((4-amino-9,10-dihydro-3-methyl-9,10-dioxo-1-anthryl)amino)toluene-2-sulphonate

Structure Search

SMILES

[Na+].CC1=CC=C(NC2=C3C(=O)C4=C(C=CC=C4)C(=O)C3=C(N)C(C)=C2)C=C1S([O-])(=O)=O

InChI

InChIKey=CELSKHGNWHNXED-UHFFFAOYSA-M

InChI=1S/C22H18N2O5S.Na/c1-11-7-8-13(10-17(11)30(27,28)29)24-16-9-12(2)20(23)19-18(16)21(25)14-5-3-4-6-15(14)22(19)26;/h3-10,24H,23H2,1-2H3,(H,27,28,29);/q;+1/p-1

HIDE SMILES / InChI

Molecular Formula	C22H17N2O5S
Molecular Weight	421.446
Charge	-1
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
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 `Tue Apr 01 19:23:17 GMT 2025` Edited by `admin` on `Tue Apr 01 19:23:17 GMT 2025`
Record UNII	KL34Y3DQ3J
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Benzenesulfonic acid, 5-[(4-amino-9,10-dihydro-3-methyl-9,10-dioxo-1-anthracenyl)amino]-2-methyl-, sodium salt

Preferred Name

English

Sodium 4-((4-amino-9,10-dihydro-3-methyl-9,10-dioxo-1-anthryl)amino)toluene-2-sulphonate

Systematic Name

English

Benzenesulfonic acid, 5-[(4-amino-9,10-dihydro-3-methyl-9,10-dioxo-1-anthracenyl)amino]-2-methyl-, monosodium salt

Systematic Name

English

Benzenesulfonic acid, 5-[(4-amino-9,10-dihydro-3-methyl-9,10-dioxo-1-anthracenyl)amino]-2-methyl-, sodium salt (1:1)

Systematic Name

English

Code System Code Type Description

ECHA (EC/EINECS)

299-777-9