1,4-Butanedisulfon-m-anisidide, 4',4''-bis(4-quinolylamino)-, dihydrochloride, hydrate

[2-methoxy-4-[4-[[3-methoxy-4-(quinolin-4-ylazaniumyl)phenyl]sulfamoyl]butylsulfonylamino]phenyl]-quinolin-4-ylazanium dichloride

CAS: 66799-65-3

Molecular Formula	`C36H38Cl2N6O6S2`
Molecular Weight	785.8 g/mol
Topological Polar Surface Area	187.0 A2
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	12
Rotatable Bonds	15
Exact Mass	784.1671
Heavy Atoms	52
Complexity	1170.0

Chemical Identifiers

CAS Number	66799-65-3
SMILES	`COC1=C(C=CC(=C1)NS(=O)(=O)CCCCS(=O)(=O)NC2=CC(=C(C=C2)[NH2+]C3=CC=NC4=CC=CC=C43)OC)[NH2+]C5=CC=NC6=CC=CC=C65.[Cl-].[Cl-]`
InChIKey	`DDMPRQINGZESBM-UHFFFAOYSA-N`

📖 Product Overview

1,4-Butanedisulfon-m-anisidide, 4',4''-bis(4-quinolylamino)-, dihydrochloride, hydrate (CAS: 66799-65-3) is a chemical compound with molecular formula C36H38Cl2N6O6S2 and molecular weight 785.8 g/mol. Its IUPAC systematic name is [2-methoxy-4-[4-[[3-methoxy-4-(quinolin-4-ylazaniumyl)phenyl]sulfamoyl]butylsulfonylamino]phenyl]-quinolin-4-ylazanium dichloride. Topological Polar Surface Area 187.0 A2 Hydrogen Bond Donors 4 Hydrogen Bond Acceptors 12 Rotatable Bonds 15 Exact Mass 784.1671 Heavy Atoms 52 Complexity 1170.0 InChI Key: DDMPRQINGZESBM-UHFFFAOYSA-N. SMILES: COC1=C(C=CC(=C1)NS(=O)(=O)CCCCS(=O)(=O)NC2=CC(=C(C=C2)[NH2+]C3=CC=NC4=CC=CC=C43)OC)[NH2+]C5=CC=NC6=CC=CC=C65.[Cl-].[Cl-].

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.

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