Basic information
- CAS
66757-01-5- Standard SMILES
Cl.Cl.O.O=S(=O)(CCCCCS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3ccccc23)cc1)Nc1ccc(Nc2c3ccccc3nc3ccccc23)cc1- InChIKey
VNAJKQISFBCLOO-UHFFFAOYSA-N- Molecular formula
- C43H42Cl2N6O5S2
- Average molar mass
- 857.9 g/mol
- Monoisotopic mass
- 856.2035162
Names & identifiers
- Preferred name
- N,N'-Bis(4-(9-acridinylamino)phenyl)-1,5-pentanedisulfonamide dihydrochloride hydrate
- IUPAC
- N,N'-bis[4-(acridin-9-ylamino)phenyl]pentane-1,5-disulfonamide;hydrate;dihydrochloride
Names & synonyms
1,5-Pentanedisulfonanilide, 4',4''-bis(9-acridinylamino)-, dihydrochloride, hydrate66757-01-54',4''-Bis(9-acridinylamino)-1,5-pentanedisulfonanilide dihydrochloride hydrateN,N'-Bis(4-(9-acridinylamino)phenyl)-1,5-pentanedisulfonamide dihydrochloride hydrateDTXSID70216893N~1~,N~5~-Bis{4-[(acridin-9-yl)amino]phenyl}pentane-1,5-disulfonamide--hydrogen chloride--water (1/2/1)
Database identifiers
- CAS
66757-01-5- PubChem CID
- 149396
- DTXSID
DTXSID70216893
Properties
Computed structural properties
- Topological polar surface area
- 160 Ų
- Hydrogen bond donors
- 7
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 14
- Heavy atoms
- 58
- Formal charge
- 0
- Complexity
- 1,270
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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