1,4-Bis((2-((2,3-dihydroxypropyl)amino)ethyl)amino)-5,8-dihydroxy-9,10-anthracenedione
Basic information
- CAS
70945-63-0- Standard SMILES
O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCC(O)CO)ccc(NCCNCC(O)CO)c21- InChIKey
DAMXFBIYJWERES-UHFFFAOYSA-N- Molecular formula
- C24H32N4O8
- Average molar mass
- 504.5 g/mol
- Monoisotopic mass
- 504.22201399
Names & identifiers
- Preferred name
- 1,4-Bis((2-((2,3-dihydroxypropyl)amino)ethyl)amino)-5,8-dihydroxy-9,10-anthracenedione
- IUPAC
- 1,4-bis[2-(2,3-dihydroxypropylamino)ethylamino]-5,8-dihydroxyanthracene-9,10-dione
Names & synonyms
70945-63-01,4-Bis((2-((2,3-dihydroxypropyl)amino)ethyl)amino)-5,8-dihydroxy-9,10-anthracenedioneCHEMBL3248545SCHEMBL11039037DTXSID109912389,10-Anthracenedione, 1,4-bis((2-((2,3-dihydroxypropyl)amino)ethyl)amino)-5,8-dihydroxy-1,4-Bis({2-[(2,3-dihydroxypropyl)amino]ethyl}amino)-5,8-dihydroxyanthracene-9,10-dione
Database identifiers
- CAS
70945-63-0- PubChem CID
- 153182
- DTXSID
DTXSID10991238- ChEMBL
CHEMBL3248545
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 204 Ų
- Hydrogen bond donors
- 10
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 14
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 658
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Compound notes
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