NS00078256

disodium;5-[[4-[(3-amino-3-oxopropyl)-(2-hydroxyethyl)amino]-6-anilino-1,3,5-triazin-2-yl]amino]-2-[2-[4-[[4-[(3-amino-3-oxopropyl)-(2-hydroxyethyl)amino]-6-anilino-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate

Also Known As: Disodium;5-[[4-[(3-amino-3-oxopropyl)-(2-hydroxyethyl)amino]-6-anilino-1,3,5-triazin-2-yl]amino]-2-[2-[4-[[4-[(3-amino-3-oxopropyl)-(2-hydroxyethyl)amino]-6-anilino-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate|Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis[5-[[4-[(3-amino-3-oxopropyl)(2-hydroxyethyl)amino]-6-(phenylamino)-1,3,5-triazin-2-yl]amino]-, disodium salt|Disodium 5-({4-[(3-amino-3-oxopropyl)(2-hydroxyethyl)amino]-6-anilino-1,3,5-triazin-2-yl}amino)-2-{(E)-2-[4-({4-[(3-amino-3-oxopropyl)(2-hydroxyethyl)amino]-6-anilino-1,3,5-triazin-2-yl}amino)-2-sulfonatophenyl]ethen-1-yl}benzene-1-sulfonate|Disodium 5-({4-[(3-amino-3-oxopropyl)(2-hydroxyethyl)amino]-6-anilino-1,3,5-triazin-2-yl}amino)-2-{2-[4-({4-[(3-amino-3-oxopropyl)(2-hydroxyethyl)amino]-6-anilino-1,3,5-triazin-2-yl}amino)-2-sulfonatophenyl]ethen-1-yl}benzene-1-sulfonate

Molecular Formula	C42H44N14Na2O10S2
Molecular Weight	1014.2602 g/mol
LogP	-3.6342
Topological Polar Surface Area	390.0 Ų
Hydrogen Bond Donors	8
Hydrogen Bond Acceptors	22
Rotatable Bonds	22
Exact Mass	1014.2602
Monoisotopic Mass	1014.2602
Heavy Atoms	70
Complexity	1670.0

Chemical Identifiers

CAS Number	27344-06-5
SMILES	C1=CC=C(C=C1)NC2=NC(=NC(=N2)N(CCC(=O)N)CCO)NC3=CC(=C(C=C3)C=CC4=C(C=C(C=C4)NC5=NC(=NC(=N5)NC6=CC=CC=C6)N(CCC(=O)N)CCO)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]
InChIKey	KXZDXBWYWMOFCR-UHFFFAOYSA-L