Basic information
- CAS
70945-68-5- Standard SMILES
CN(C)CCCCCNc1ccc(NCCCCCN(C)C)c2c1C(=O)c1c(O)ccc(O)c1C2=O- InChIKey
UDNNULHPKJMSTG-UHFFFAOYSA-N- Molecular formula
- C28H40N4O4
- Average molar mass
- 496.6 g/mol
- Monoisotopic mass
- 496.30495577
Names & identifiers
- Preferred name
- 9,10-Anthracenedione, 1,4-bis((5-(dimethylamino)pentyl)amino)-5,8-dihydroxy-
- IUPAC
- 1,4-bis[5-(dimethylamino)pentylamino]-5,8-dihydroxyanthracene-9,10-dione
Names & synonyms
9,10-Anthracenedione, 1,4-bis((5-(dimethylamino)pentyl)amino)-5,8-dihydroxy-70945-68-51,4-Bis((5-(dimethylamino)pentyl)amino)-5,8-dihydroxy-9,10-anthracenedioneCHEMBL3248556DTXSID502211821,4-Bis{[5-(dimethylamino)pentyl]amino}-5,8-dihydroxyanthracene-9,10-dione
Database identifiers
- CAS
70945-68-5- PubChem CID
- 153183
- DTXSID
DTXSID50221182- ChEMBL
CHEMBL3248556
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 14
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 645
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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