Pentanesulfonanilide, 4',5-bis(9-acridinylamino)-, dihydrochloride, trihydrate
Basic information
- CAS
66725-11-9- Standard SMILES
Cl.Cl.O.O.O.O=S(=O)(CCCCCNc1c2ccccc2nc2ccccc12)Nc1ccc(Nc2c3ccccc3nc3ccccc23)cc1- InChIKey
VJDFCRGAVNZUKV-UHFFFAOYSA-N- Molecular formula
- C37H41Cl2N5O5S
- Average molar mass
- 738.7 g/mol
- Monoisotopic mass
- 737.220546
Names & identifiers
- Preferred name
- Pentanesulfonanilide, 4',5-bis(9-acridinylamino)-, dihydrochloride, trihydrate
- IUPAC
- 5-(acridin-9-ylamino)-N-[4-(acridin-9-ylamino)phenyl]pentane-1-sulfonamide;trihydrate;dihydrochloride
Names & synonyms
Pentanesulfonanilide, 4',5-bis(9-acridinylamino)-, dihydrochloride, trihydrate66725-11-94',5-Bis(9-acridinylamino)pentanesulfonanilide dihydrochloride trihydrateDTXSID002168665-[(Acridin-9-yl)amino]-N-{4-[(acridin-9-yl)amino]phenyl}pentane-1-sulfonamide--hydrogen chloride--water (1/2/3)
Database identifiers
- CAS
66725-11-9- PubChem CID
- 149387
- DTXSID
DTXSID00216866
Properties
Computed structural properties
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 8
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 11
- Heavy atoms
- 50
- Formal charge
- 0
- Complexity
- 984
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Compound notes
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