XB 596

methanesulfonic acid;5-nitro-2-[4-[3-(5-nitro-1,3-dioxobenzo[de]isoquinolin-2-yl)propylamino]butyl]benzo[de]isoquinoline-1,3-dione

Also Known As: ACMC-20c9kr|XB 596|XB596|XB-596|1H-Benze(de)isoquinoline-1,3(2H)-dione, 2-(3-((4-(5-nitro-1,3-dioxo-1H-benz(de)isoquinolin-2(3H)-yl)butyl)amino)propyl)-5-nitro-, monomethanesulfonate|2-(3-((4-(5-Nitro-1,3-dioxo-1H-benz(de)isoquinolin-2(3H)-yl)butyl)amino)propyl)-5-nitro-1H-benze(de)isoquinoline-1,3(2H)-dione monomethanesulfonate|4-(3-(3-Nitronaphthalene-1,8-dicarboximido)propylamino)-1-(3-nitronaphthalene-1,8-dicarboximido)butane hydromethanesulfonate|5-nitro-2-(3-{[4-(5-nitro-1,3-dioxo-1h-benzo[de]isoquinolin-2(3h)-yl)butyl]amino}propyl)-1h-benzo[de]isoquinoline-1,3(2h)-dione methanesulfonate(1:1)|methanesulfonic acid,5-nitro-2-[4-[3-(5-nitro-1,3-dioxobenzo[de]isoquinolin-2-yl)propylamino]butyl]benzo[de]isoquinoline-1,3-dione|Methanesulfonic acid--5-nitro-2-(3-{[4-(5-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)butyl]amino}propyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione (1/1)|methanesulfonic acid; 5-nitro-2-[4-[3-(5-nitro-1,3-dioxobenzo[de]isoquinolin-2-yl)propylamino]butyl]benzo[de]isoquinoline-1,3-dione|methanesulfonic acid;5-nitro-2-[4-[3-(5-nitro-1,3-dioxobenzo[de]isoquinolin-2-yl)propylamino]butyl]benzo[de]isoquinoline-1,3-dione

Molecular Formula	C32H29N5O11S
Molecular Weight	691.15845 g/mol
LogP	3.9655
Topological Polar Surface Area	241.0 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	12
Rotatable Bonds	9
Exact Mass	691.15845
Monoisotopic Mass	691.15845
Heavy Atoms	49
Complexity	1280.0

Chemical Identifiers

CAS Number	187235-56-9
SMILES	CS(=O)(=O)O.C1=CC2=CC(=CC3=C2C(=C1)C(=O)N(C3=O)CCCCNCCCN4C(=O)C5=CC=CC6=CC(=CC(=C65)C4=O)[N+](=O)[O-])[N+](=O)[O-]
InChIKey	RASVFEKZOSGUBR-UHFFFAOYSA-N