4,4'-Bis(9-acridinylamino)butanesulfonanilide dihydrochloride trihydrate

HCID 48019

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Basic information

CAS: 66725-10-8
Standard SMILES: O=S(=O)(CCCC[NH2+]c1c2ccccc2nc2ccccc12)Nc1ccc([NH2+]c2c3ccccc3nc3ccccc23)cc1.[Cl-].[Cl-]
InChIKey: LHWJQJMEIKPJFS-UHFFFAOYSA-N
Molecular formula: C36H33Cl2N5O2S
Average molar mass: 670.6 g/mol
Monoisotopic mass: 669.1732019

Names & identifiers

Preferred name: 4,4'-Bis(9-acridinylamino)butanesulfonanilide dihydrochloride trihydrate
IUPAC: acridin-9-yl-[4-[4-(acridin-9-ylazaniumyl)butylsulfonylamino]phenyl]azanium dichloride

Names & synonyms

4,4'-Bis(9-acridinylamino)butanesulfonanilide dihydrochloride trihydrate66725-10-8BUTANESULFONANILIDE, 4,4'-BIS(9-ACRIDINYLAMINO)-, DIHYDROCHLORIDE, TRIHYDRATE

Database identifiers

CAS: 66725-10-8
PubChem CID: 48019

Properties

Computed structural properties

Topological polar surface area: 114 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 7
Rotatable bonds: 10
Heavy atoms: 46
Formal charge: 0
Complexity: 968

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