Trisodium 4-[[3-(4,5-dichloro-6-oxo-6H-pyridazin-1-yl)propionyl]amino]-5-hydroxy-6-[(4-sulfonatophenyl)azo]naphthalene-2,7-disulfonate

Details

Stereochemistry	ACHIRAL
Molecular Formula	C23H14Cl2N5O12S3.3Na
Molecular Weight	788.454
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of Trisodium 4-[[3-(4,5-dichloro-6-oxo-6H-pyridazin-1-yl)propionyl]amino]-5-hydroxy-6-[(4-sulfonatophenyl)azo]naphthalene-2,7-disulfonate

Structure Search

SMILES

[Na+].[Na+].[Na+].OC1=C(N=NC2=CC=C(C=C2)S([O-])(=O)=O)C(=CC3=C1C(NC(=O)CCN4N=CC(Cl)=C(Cl)C4=O)=CC(=C3)S([O-])(=O)=O)S([O-])(=O)=O

InChI

InChIKey=AGFMYGHESMMLSS-IAXIIBAVSA-K

InChI=1S/C23H17Cl2N5O12S3.3Na/c24-15-10-26-30(23(33)20(15)25)6-5-18(31)27-16-9-14(44(37,38)39)7-11-8-17(45(40,41)42)21(22(32)19(11)16)29-28-12-1-3-13(4-2-12)43(34,35)36;;;/h1-4,7-10,32H,5-6H2,(H,27,31)(H,34,35,36)(H,37,38,39)(H,40,41,42);;;/q;3*+1/p-3/b29-28+;;;

HIDE SMILES / InChI

Molecular Formula	C23H14Cl2N5O12S3
Molecular Weight	719.485
Charge	-3
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 21:23:35 GMT 2025` Edited by `admin` on `Wed Apr 02 21:23:35 GMT 2025`
Record UNII	XFA6866EH7
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

Trisodium 4-[[3-(4,5-dichloro-6-oxo-6H-pyridazin-1-yl)propionyl]amino]-5-hydroxy-6-[(4-sulfonatophenyl)azo]naphthalene-2,7-disulfonate

Systematic Name

English

2,7-Naphthalenedisulfonic acid, 5-[[3-(4,5-dichloro-6-oxo-1(6H)-pyridazinyl)-1-oxopropyl]amino]-4-hydroxy-3-[(4-sulfophenyl)azo]-,trisodium salt

Preferred Name

English

2,7-Naphthalenedisulfonic acid, 5-[[3-(4,5-dichloro-6-oxo-1(6H)-pyridazinyl)-1-oxopropyl]amino]-4-hydroxy-3-[2-(4-sulfophenyl)diazenyl]-,sodium salt (1:3)

Systematic Name

English

Trisodium 4-[[3-(4,5-dichloro-6-oxo-6H-pyridazin-1-yl)propionyl]amino]-5-hydroxy-6-[(4-sulphonatophenyl)azo]naphthalene-2,7-disulphonate

Systematic Name

English

Code System Code Type Description

PUBCHEM

102269135

Created by admin on Wed Apr 02 21:23:35 GMT 2025 , Edited by admin on Wed Apr 02 21:23:35 GMT 2025

PRIMARY

FDA UNII

XFA6866EH7

Created by admin on Wed Apr 02 21:23:35 GMT 2025 , Edited by admin on Wed Apr 02 21:23:35 GMT 2025

PRIMARY

CAS

85958-98-1

Created by admin on Wed Apr 02 21:23:35 GMT 2025 , Edited by admin on Wed Apr 02 21:23:35 GMT 2025

PRIMARY

Related Record Type Details


					3RU7BC24E2

4-[[3-(4,5-Dichloro-6-oxo-6H-pyridazin-1-yl)propionyl]amino]-5-hydroxy-6-[(4-sulfonatophenyl)azo]naphthalene-2,7-disulfonate

PARENT -> SALT/SOLVATE

Amount: