RefChem:465278

disodium;1-amino-4-[4-[[3-(2-chloroethylsulfonyl)benzoyl]-methylamino]-2-sulfonatoanilino]-9,10-dioxoanthracene-2-sulfonate

Also Known As: 2-Anthracenesulfonic acid, 1-amino-4-((4-((3-((2-chloroethyl)sulfonyl)benzoyl)methylamino)-2-sulfophenyl)amino)-9,10-dihydro-9,10-dioxo-, sodium salt|2-Anthracenesulfonic acid, 1-amino-4-((4-((3-((2-chloroethyl)sulfonyl)benzoyl)methylamino)-2-sulfophenyl)amino)-9,10-dihydro-9,10-dioxo-, sodium salt (1:?)|2-Anthracenesulfonic acid, 1-amino-4-[[4-[[3-[(2-chloroethyl)sulfonyl]benzoyl]methylamino]-2-sulfophenyl]amino]-9,10-dihydro-9,10-dioxo-, sodium salt|5-bromo-2-(2-tert-butylamino-1-hydroxyethyl)-7-ethylbenzofuran|1-Amino-4-((4-((3-((2-chloroethyl)sulphonyl)benzoyl)methylamino)-2-sulphophenyl)amino)-9,10-dihydro-9,10-dioxoanthracene-2-sulphonicacid, sodium salt|1-amino-4-[[4-[[3-[ sulphonyl]benzoyl]methylamino]-2-sulphophenyl]amino]-9,10-dihydro-9,10-dioxoanthracene-2-sulphonicacid,sodiumsalt|1-amino-4-[[4-[[3-[(2-chloroethyl)sulphonyl]benzoyl]methylamino]-2-sulphophenyl]amino]-9,10-dihydro-9,10-dioxoanthracene-2-sulphonic acid, sodium salt|2-Anthracenesulfonic acid, 1-amino-4-[[4-[[3-[(2-chloroethyl) sulfonyl]benzoyl]methylamino]-2-sulfophenyl ]amino]-9,10-dihydro-9,10-dioxo-, sodium salt|2-Anthracenesulfonic acid, 1-amino-4-[[4-[[3-[(2-chloroethyl)sulfonyl]benzoyl]methylamino]-2-sulfophenyl]amino]-9,10-dihydro-9,10-dioxo-, sodium salt (1:?)|disodium 1-amino-4-({4-[{3-[(2-chloroethyl)sulfonyl]benzoyl}(methyl)amino]-2-sulfonatophenyl}amino)-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate|Disodium 1-amino-4-(4-{[3-(2-chloroethanesulfonyl)benzoyl](methyl)amino}-2-sulfonatoanilino)-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate|disodium 1-amino-4-[4-[[3-(2-chloroethylsulfonyl)benzoyl]-methylamino]-2-sulfonatoanilino]-9,10-dioxoanthracene-2-sulfonate|Disodium 1-amino-4-{4-[3-(2-chloroethanesulfonyl)-N-methylbenzamido]-2-sulfonatoanilino}-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate|disodium,1-amino-4-[4-[[3-(2-chloroethylsulfonyl)benzoyl]-methylamino]-2-sulfonatoanilino]-9,10-dioxoanthracene-2-sulfonate

Molecular Formula	C30H22ClN3Na2O11S3
Molecular Weight	776.99005 g/mol
LogP	-3.1069
Topological Polar Surface Area	266.0 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	13
Rotatable Bonds	7
Exact Mass	776.99005
Monoisotopic Mass	776.99005
Heavy Atoms	50
Complexity	1550.0

Chemical Identifiers

CAS Number	85536-89-6
SMILES	CN(C1=CC(=C(C=C1)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)[O-])S(=O)(=O)[O-])C(=O)C5=CC(=CC=C5)S(=O)(=O)CCCl.[Na+].[Na+]
InChIKey	UGUZURVSPLYQQJ-UHFFFAOYSA-L