4',4''-Bis(9-acridinylamino)-1,4-butanesulfonanilide dihydrochloride
Basic information
- CAS
66725-15-3- Standard SMILES
O=S(=O)(CCCCS(=O)(=O)Nc1ccc(Nc2c3ccccc3[nH+]c3ccccc23)cc1)Nc1ccc(Nc2c3ccccc3[nH+]c3ccccc23)cc1.[Cl-].[Cl-]- InChIKey
QYPHZJBBGLAYQI-UHFFFAOYSA-N- Molecular formula
- C42H38Cl2N6O4S2
- Average molar mass
- 825.8 g/mol
- Monoisotopic mass
- 824.1773014
Names & identifiers
- Preferred name
- 4',4''-Bis(9-acridinylamino)-1,4-butanesulfonanilide dihydrochloride
- IUPAC
- N,N'-bis[4-(acridin-10-ium-9-ylamino)phenyl]butane-1,4-disulfonamide dichloride
Names & synonyms
4',4''-Bis(9-acridinylamino)-1,4-butanesulfonanilide dihydrochloride66725-15-31,4-BUTANEDISULFONANILIDE, 4',4''-BIS(9-ACRIDINYLAMINO)-, DIHYDROCHLORIDE
Database identifiers
- CAS
66725-15-3- PubChem CID
- 48023
Properties
Computed structural properties
- Topological polar surface area
- 161 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 13
- Heavy atoms
- 56
- Formal charge
- 0
- Complexity
- 1,260
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