Basic information
- CAS
66757-02-6- Standard SMILES
COc1cc([NH2+]S(=O)(=O)CCCCCCS(=O)(=O)[NH2+]c2ccc(Nc3c4ccccc4nc4ccccc34)c(OC)c2)ccc1Nc1c2ccccc2nc2ccccc12.[Cl-].[Cl-]- InChIKey
BQXGZFTUPXQZHK-UHFFFAOYSA-N- Molecular formula
- C46H46Cl2N6O6S2
- Average molar mass
- 913.9 g/mol
- Monoisotopic mass
- 912.2297309
Names & identifiers
- Preferred name
- [4-(Acridin-9-ylamino)-3-methoxyphenyl]-[6-[[4-(acridin-9-ylamino)-3-methoxyphenyl]azaniumyl]sulfonylhexylsulfonyl]azanium dichloride
- IUPAC
- [4-(acridin-9-ylamino)-3-methoxyphenyl]-[6-[[4-(acridin-9-ylamino)-3-methoxyphenyl]azaniumyl]sulfonylhexylsulfonyl]azanium dichloride
Names & synonyms
66757-02-61,6-Hexanedisulfon-m-anisidide, 4',4''-bis(9-acridinylamino)-, dihydrochloride, tetrahydrate
Database identifiers
- CAS
66757-02-6- PubChem CID
- 48030
Properties
Computed structural properties
- Topological polar surface area
- 187 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 17
- Heavy atoms
- 62
- Formal charge
- 0
- Complexity
- 1,400
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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