Propanesulfonanilide, 3,4'-bis(9-acridinylamino)-, dihydrochloride, trihydrate

HCID 149385

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Basic information

CAS: 66725-09-5
Standard SMILES: Cl.Cl.O.O.O.O=S(=O)(CCCNc1c2ccccc2nc2ccccc12)Nc1ccc(Nc2c3ccccc3nc3ccccc23)cc1
InChIKey: BDGXCCWHESKNEN-UHFFFAOYSA-N
Molecular formula: C35H37Cl2N5O5S
Average molar mass: 710.7 g/mol
Monoisotopic mass: 709.1892459

Names & identifiers

Preferred name: Propanesulfonanilide, 3,4'-bis(9-acridinylamino)-, dihydrochloride, trihydrate
IUPAC: 3-(acridin-9-ylamino)-N-[4-(acridin-9-ylamino)phenyl]propane-1-sulfonamide;trihydrate;dihydrochloride

Names & synonyms

Propanesulfonanilide, 3,4'-bis(9-acridinylamino)-, dihydrochloride, trihydrate66725-09-53,4'-Bis(9-acridinylamino)propanesulfonanilide dihydrochloride trihydrateDTXSID402168653-[(Acridin-9-yl)amino]-N-{4-[(acridin-9-yl)amino]phenyl}propane-1-sulfonamide--hydrogen chloride--water (1/2/3)

Database identifiers

CAS: 66725-09-5
PubChem CID: 149385
DTXSID: DTXSID40216865

Properties

Computed structural properties

Topological polar surface area: 107 Å²
Hydrogen bond donors: 8
Hydrogen bond acceptors: 10
Rotatable bonds: 9
Heavy atoms: 48
Formal charge: 0
Complexity: 953

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