Butanesulfonanilide, 4'-(9-acridinylamino)-4-(4-quinolinylamino)-, dihydrobromide

HCID 48015

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Basic information

CAS: 66725-05-1
Standard SMILES: O=S(=O)(CCCC[NH2+]c1ccnc2ccccc12)Nc1ccc([NH2+]c2c3ccccc3nc3ccccc23)cc1.[Br-].[Br-]
InChIKey: XEVXKNMFULSVOX-UHFFFAOYSA-N
Molecular formula: C32H31Br2N5O2S
Average molar mass: 709.5 g/mol
Monoisotopic mass: 707.05652

Names & identifiers

Preferred name: Butanesulfonanilide, 4'-(9-acridinylamino)-4-(4-quinolinylamino)-, dihydrobromide
IUPAC: acridin-9-yl-[4-[4-(quinolin-4-ylazaniumyl)butylsulfonylamino]phenyl]azanium dibromide

Names & synonyms

Butanesulfonanilide, 4'-(9-acridinylamino)-4-(4-quinolinylamino)-, dihydrobromide66725-05-14'-(9-Acridinylamino)-4-(4-quinolinylamino)butanesulfonanilide dihydrobromide

Database identifiers

CAS: 66725-05-1
PubChem CID: 48015

Properties

Computed structural properties

Topological polar surface area: 114 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 7
Rotatable bonds: 10
Heavy atoms: 42
Formal charge: 0
Complexity: 866

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