1-AMINO-4-((4-((4-CHLORO-6-((4-SULFOPHENYL)AMINO)-1,3,5-TRIAZIN-2-YL)AMINO)-3-SULFOPHENYL)AMINO)-9,10-DIHYDRO-9,10-DIOXO-2-ANTHRACENESULFONIC ACID

Details

Stereochemistry	ACHIRAL
Molecular Formula	C29H20ClN7O11S3
Molecular Weight	774.157
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 1-AMINO-4-((4-((4-CHLORO-6-((4-SULFOPHENYL)AMINO)-1,3,5-TRIAZIN-2-YL)AMINO)-3-SULFOPHENYL)AMINO)-9,10-DIHYDRO-9,10-DIOXO-2-ANTHRACENESULFONIC ACID

Structure Search

SMILES

NC1=C2C(=O)C3=C(C=CC=C3)C(=O)C2=C(NC4=CC=C(NC5=NC(Cl)=NC(NC6=CC=C(C=C6)S(O)(=O)=O)=N5)C(=C4)S(O)(=O)=O)C=C1S(O)(=O)=O

InChI

InChIKey=IYZXGLGVLYBKAI-UHFFFAOYSA-N

InChI=1S/C29H20ClN7O11S3/c30-27-35-28(33-13-5-8-15(9-6-13)49(40,41)42)37-29(36-27)34-18-10-7-14(11-20(18)50(43,44)45)32-19-12-21(51(46,47)48)24(31)23-22(19)25(38)16-3-1-2-4-17(16)26(23)39/h1-12,32H,31H2,(H,40,41,42)(H,43,44,45)(H,46,47,48)(H2,33,34,35,36,37)

HIDE SMILES / InChI

Molecular Formula	C29H20ClN7O11S3
Molecular Weight	774.157
Charge	0
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 `Mon Mar 31 21:56:26 GMT 2025` Edited by `admin` on `Mon Mar 31 21:56:26 GMT 2025`
Record UNII	M50YL7ZLBC
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

1-AMINO-4-((4-((4-CHLORO-6-((4-SULFOPHENYL)AMINO)-1,3,5-TRIAZIN-2-YL)AMINO)-3-SULFOPHENYL)AMINO)-9,10-DIHYDRO-9,10-DIOXO-2-ANTHRACENESULFONIC ACID

Common Name

English

2-ANTHRACENESULFONIC ACID, 1-AMINO-4-((4-((4-CHLORO-6-((4-SULFOPHENYL)AMINO)-1,3,5-TRIAZIN-2-YL)AMINO)-3-SULFOPHENYL)AMINO)-9,10-DIHYDRO-9,10-DIOXO-

Preferred Name

English

Code System Code Type Description

FDA UNII

M50YL7ZLBC

Created by admin on Mon Mar 31 21:56:26 GMT 2025 , Edited by admin on Mon Mar 31 21:56:26 GMT 2025

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CAS

72696-54-9

Created by admin on Mon Mar 31 21:56:26 GMT 2025 , Edited by admin on Mon Mar 31 21:56:26 GMT 2025

PRIMARY

PUBCHEM

3638737

Created by admin on Mon Mar 31 21:56:26 GMT 2025 , Edited by admin on Mon Mar 31 21:56:26 GMT 2025

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EPA CompTox

DTXSID301015683

Created by admin on Mon Mar 31 21:56:26 GMT 2025 , Edited by admin on Mon Mar 31 21:56:26 GMT 2025

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