Basic information
- CAS
70476-91-4- Standard SMILES
Cl.Cl.Cl.Cl.O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCNCCO)ccc(NCCNCCNCCO)c21- InChIKey
DADRAUTUEWNOFF-UHFFFAOYSA-N- Molecular formula
- C26H42Cl4N6O6
- Average molar mass
- 676.5 g/mol
- Monoisotopic mass
- 674.191994
Names & identifiers
- Preferred name
- 9,10-Anthracenedione, 1,4-dihydroxy-5,8-bis((2-((2-((2-hydroxyethyl)amino)ethyl)amino)ethyl)amino)-, tetrahydrochloride
- IUPAC
- 1,4-dihydroxy-5,8-bis[2-[2-(2-hydroxyethylamino)ethylamino]ethylamino]anthracene-9,10-dione;tetrahydrochloride
Names & synonyms
70476-91-49,10-Anthracenedione, 1,4-dihydroxy-5,8-bis((2-((2-((2-hydroxyethyl)amino)ethyl)amino)ethyl)amino)-, tetrahydrochlorideSCHEMBL10522176DTXSID802207491,4-Dihydroxy-5,8-bis((2-((2-((2-hydroxyethyl)amino)ethyl)amino)ethyl)amino)-9,10-anthracenedione tetrahydrochloride1,4-Dihydroxy-5,8-bis{[2-({2-[(2-hydroxyethyl)amino]ethyl}amino)ethyl]amino}anthracene-9,10-dione--hydrogen chloride (1/4)
Database identifiers
- CAS
70476-91-4- PubChem CID
- 153161
- DTXSID
DTXSID80220749
Properties
Computed structural properties
- Topological polar surface area
- 187 Ų
- Hydrogen bond donors
- 14
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 18
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 660
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…