RefChem:465309

1-amino-4-[3-(2-hydroxyethylsulfamoyl)-4,5-dimethylanilino]-9,10-dioxoanthracene-2-sulfonic acid

Also Known As: 2-Anthracenesulfonic acid, 1-amino-9,10-dihydro-4-[[3-[[(2-hydroxyethyl)amino]sulfonyl]-4,5-dimethylphenyl]amino]-9,10-dioxo-|1-(3,4-Dimethyl-5-sulfethanolamide anilino)-4-amino-3-anthraquinonesulfonic acid|1-amino-4-({3-[(2-hydroxyethyl)sulfamoyl]-4,5-dimethylphenyl}amino)-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid|2-Anthracenesulfonic acid, 1-amino-9,10-dihydro-4-((3-(((2-hydroxyethyl)amino)sulfonyl)-4,5-dimethylphenyl)amino)-9,10-dioxo-|1-amino-4-[3-(2-hydroxyethylsulfamoyl)-4,5-dimethylanilino]-9,10-dioxoanthracene-2-sulfonic acid|1-Amino-9,10-dihydro-4-[[3-[[(2-hydroxyethyl)amino]sulfonyl]-4,5-dimethylphenyl]amino]-9,10-dioxo-2-anthracenesulfonic acid|1-Amino-4-{3-[(2-hydroxyethyl)sulfamoyl]-4,5-dimethylanilino}-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid|1-Amino-9,10-dihydro-4-((3-(((2-hydroxyethyl)amino)sulphonyl)-4,5-dimethylphenyl)amino)-9,10-dioxoanthracene-2-sulphonic acid|1-amino-9,10-dihydro-4-[[3-[[ amino]sulphonyl]-4,5-dimethylphenyl]amino]-9,10-dioxoanthracene-2-sulphonicacid|1-amino-9,10-dihydro-4-[[3-[[(2-hydroxyethyl)amino]sulphonyl]-4,5-dimethylphenyl]amino]-9,10-dioxoanthracene-2-sulphonic acid|2-Anthracenesulfonic acid, 1-amino-9,10-dihydro-4-[[ 3-[[(2-hydroxyethyl)amino]sulfonyl]-4,5-dimethylphenyl ]amino]-9,10-dioxo-|2-Anthracenesulfonicacid,1-amino-9,10-dihydro-4-[[3-[[(2-hydroxyethyl)amino]sulfonyl]-4,5-dimethylphenyl]amino]-9,10-dioxo-

Molecular Formula	C24H23N3O8S2
Molecular Weight	545.09265 g/mol
LogP	2.6
Topological Polar Surface Area	210.0 Ų
Hydrogen Bond Donors	5
Hydrogen Bond Acceptors	11
Rotatable Bonds	7
Exact Mass	545.09265
Monoisotopic Mass	545.09265
Heavy Atoms	37
Complexity	1090.0

Chemical Identifiers

CAS Number	4162-89-4
SMILES	CC1=CC(=CC(=C1C)S(=O)(=O)NCCO)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)O
InChIKey	SEXIHYPFEOARHF-UHFFFAOYSA-N