9,10-Anthracenedione, 1,4-dihydroxy-5,8-bis((2-(1-piperazinyl)ethyl)amino)-
Basic information
- CAS
70945-65-2- Standard SMILES
O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCN3CCNCC3)ccc(NCCN3CCNCC3)c21- InChIKey
BXVTYVVPQCMMMY-UHFFFAOYSA-N- Molecular formula
- C26H34N6O4
- Average molar mass
- 494.6 g/mol
- Monoisotopic mass
- 494.26415359
Names & identifiers
- Preferred name
- 9,10-Anthracenedione, 1,4-dihydroxy-5,8-bis((2-(1-piperazinyl)ethyl)amino)-
- IUPAC
- 1,4-dihydroxy-5,8-bis(2-piperazin-1-ylethylamino)anthracene-9,10-dione
Names & synonyms
9,10-Anthracenedione, 1,4-dihydroxy-5,8-bis((2-(1-piperazinyl)ethyl)amino)-70945-65-21,4-Dihydroxy-5,8-bis((2-(1-piperazinyl)ethyl)amino-9,10-anthracenedioneCHEMBL3248550DTXSID302211801,4-dihydroxy-5,8-bis{[2-(piperazin-1-yl)ethyl]amino}anthracene-9,10-dione
Database identifiers
- CAS
70945-65-2- PubChem CID
- 135484
- DTXSID
DTXSID30221180- ChEMBL
CHEMBL3248550
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 129 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 8
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 697
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Compound notes
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