Basic information
- CAS
70476-87-8- Standard SMILES
Cl.Cl.O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCCO)ccc(NCCNCCCO)c21- InChIKey
XNUFKDAOCUCDHN-UHFFFAOYSA-N- Molecular formula
- C24H34Cl2N4O6
- Average molar mass
- 545.5 g/mol
- Monoisotopic mass
- 544.1855402
Names & identifiers
- Preferred name
- 9,10-Anthracenedione, 1,4-dihydroxy-5,8-bis((2-((3-hydroxypropyl)amino)ethyl)amino)-, dihydrochloride
- IUPAC
- 1,4-dihydroxy-5,8-bis[2-(3-hydroxypropylamino)ethylamino]anthracene-9,10-dione;dihydrochloride
Names & synonyms
70476-87-89,10-Anthracenedione, 1,4-dihydroxy-5,8-bis((2-((3-hydroxypropyl)amino)ethyl)amino)-, dihydrochloride1,4-Dihydroxy-5,8-bis((2-((3-hydroxypropyl)amino)ethyl)amino)-9,10-anthracenedione dihydrochlorideSCHEMBL10522217DTXSID202207481,4-Dihydroxy-5,8-bis({2-[(3-hydroxypropyl)amino]ethyl}amino)anthracene-9,10-dione--hydrogen chloride (1/2)
Database identifiers
- CAS
70476-87-8- PubChem CID
- 153159
- DTXSID
DTXSID20220748
Properties
Computed structural properties
- Topological polar surface area
- 163 Ų
- Hydrogen bond donors
- 10
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 14
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 599
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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