Basic information
- CAS
70945-67-4- Standard SMILES
CN(C)CCCCNc1ccc(NCCCCN(C)C)c2c1C(=O)c1c(O)ccc(O)c1C2=O- InChIKey
LPSUCJBWBVUILJ-UHFFFAOYSA-N- Molecular formula
- C26H36N4O4
- Average molar mass
- 468.6 g/mol
- Monoisotopic mass
- 468.27365564
Names & identifiers
- Preferred name
- 1,4-Bis((4-(dimethylamino)butyl)amino)-5,8-dihydroxy-9,10-anthracenedione
- IUPAC
- 1,4-bis[4-(dimethylamino)butylamino]-5,8-dihydroxyanthracene-9,10-dione
Names & synonyms
1,4-Bis((4-(dimethylamino)butyl)amino)-5,8-dihydroxy-9,10-anthracenedione70945-67-4NSC1868481N0DS9BJA69,10-Anthracenedione, 1,4-bis((4-(dimethylamino)butyl)amino)-5,8-dihydroxy-NSC-186848NSC 186848UNII-1N0DS9BJA6CHEMBL3248555SCHEMBL41949478DTXSID902211819, 1,4-bis[[4-(dimethylamino)butyl]amino]-5,8-dihydroxy-
Show more names
1,4-bis[4-(dimethylamino)butylamino]-5,8-dihydroxy-anthracene-9,10-dione1,4-Bis{[4-(dimethylamino)butyl]amino}-5,8-dihydroxyanthra-9,10-quinone1,4-Bis{[4-(dimethylamino)butyl]amino}-5,8-dihydroxyanthracene-9,10-dione
Database identifiers
- CAS
70945-67-4- PubChem CID
- 72736
- DTXSID
DTXSID90221181- ChEMBL
CHEMBL3248555- UNII
- 1N0DS9BJA6
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 12
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 617
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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