Basic information
- CAS
70945-59-4- Standard SMILES
O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCN3CCCCC3)ccc(NCCN3CCCCC3)c21- InChIKey
AYSMOTYGSAVPCU-UHFFFAOYSA-N- Molecular formula
- C28H36N4O4
- Average molar mass
- 492.6 g/mol
- Monoisotopic mass
- 492.27365564
Names & identifiers
- Preferred name
- 1,4-Dihydroxy-5,8-bis((2-(1-piperidinyl)ethyl)amino)-9,10-anthracenedione
- IUPAC
- 1,4-dihydroxy-5,8-bis(2-piperidin-1-ylethylamino)anthracene-9,10-dione
Names & synonyms
70945-59-49,10-Anthracenedione, 1,4-dihydroxy-5,8-bis((2-(1-piperidinyl)ethyl)amino)-1,4-Dihydroxy-5,8-bis((2-(1-piperidinyl)ethyl)amino)-9,10-anthracenedioneCHEMBL385515SCHEMBL3899313DTXSID202211791,4-dihydroxy-5,8-bis{[2-(piperidin-1-yl)ethyl]amino}anthracene-9,10-dione
Database identifiers
- CAS
70945-59-4- PubChem CID
- 153181
- DTXSID
DTXSID20221179- ChEMBL
CHEMBL385515
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 692
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…