U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C28H21Cl2N5O9S2
Molecular Weight 706.53
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-AMINO-4-((3-(((3,6-DICHLORO-4-PYRIDAZINYL)CARBONYL)AMINO)-2,4,6-TRIMETHYL-5-SULFOPHENYL)AMINO)-9,10-DIHYDRO-9,10-DIOXO-2-ANTHRACENESULFONIC ACID

SMILES

CC1=C(NC2=CC(=C(N)C3=C2C(=O)C4=CC=CC=C4C3=O)S(O)(=O)=O)C(C)=C(C(C)=C1NC(=O)C5=C(Cl)N=NC(Cl)=C5)S(O)(=O)=O

InChI

InChIKey=WPNCZPHIKSFVSG-UHFFFAOYSA-N
InChI=1S/C28H21Cl2N5O9S2/c1-10-22(11(2)26(46(42,43)44)12(3)23(10)33-28(38)15-8-18(29)34-35-27(15)30)32-16-9-17(45(39,40)41)21(31)20-19(16)24(36)13-6-4-5-7-14(13)25(20)37/h4-9,32H,31H2,1-3H3,(H,33,38)(H,39,40,41)(H,42,43,44)

HIDE SMILES / InChI

Approval Year

Name Type Language
1-AMINO-4-((3-(((3,6-DICHLORO-4-PYRIDAZINYL)CARBONYL)AMINO)-2,4,6-TRIMETHYL-5-SULFOPHENYL)AMINO)-9,10-DIHYDRO-9,10-DIOXO-2-ANTHRACENESULFONIC ACID
Systematic Name English
2-ANTHRACENESULFONIC ACID, 1-AMINO-4-((3-(((3,6-DICHLORO-4-PYRIDAZINYL)CARBONYL)AMINO)-2,4,6-TRIMETHYL-5-SULFOPHENYL)AMINO)-9,10-DIHYDRO-9,10-DIOXO-
Systematic Name English
1-AMINO-4-(3-((3,6-DICHLOROPYRIDAZINE-4-CARBONYL)AMINO)-2,4,6-TRIMETHYL-5-SULFOANILINO)-9,10-DIOXOANTHRACENE-2-SULFONIC ACID
Systematic Name English
1-AMINO-4-(3-(((3,6-DICHLOROPYRIDAZIN-4-YL)CARBONYL)AMINO)-2,4,6-TRIMETHYL-5-SULFOANILINO)-9,10-DIHYDRO-9,10-DIOXOANTHRACENE-2-SULFONIC ACID
Systematic Name English
1-AMINO-4-(3-(((3,6-DICHLOROPYRIDAZIN-4-YL)CARBONYL)AMINO)-2,4,6-TRIMETHYL-5-SULPHOANILINO)-9,10-DIHYDRO-9,10-DIOXOANTHRACENE-2-SULPHONIC ACID
Systematic Name English
Code System Code Type Description
PUBCHEM
105803
Created by admin on Sat Dec 16 13:10:52 GMT 2023 , Edited by admin on Sat Dec 16 13:10:52 GMT 2023
PRIMARY
FDA UNII
96BB4C3CHD
Created by admin on Sat Dec 16 13:10:52 GMT 2023 , Edited by admin on Sat Dec 16 13:10:52 GMT 2023
PRIMARY
CAS
67846-54-2
Created by admin on Sat Dec 16 13:10:52 GMT 2023 , Edited by admin on Sat Dec 16 13:10:52 GMT 2023
PRIMARY
EPA CompTox
DTXSID80218085
Created by admin on Sat Dec 16 13:10:52 GMT 2023 , Edited by admin on Sat Dec 16 13:10:52 GMT 2023
PRIMARY
ECHA (EC/EINECS)
267-367-9
Created by admin on Sat Dec 16 13:10:52 GMT 2023 , Edited by admin on Sat Dec 16 13:10:52 GMT 2023
PRIMARY