3-[[Bis(2-hydroxyethyl)amino]methyl]-1-hydroxy-8-methoxyanthracene-9,10-dione;hydrochloride
Basic information
- CAS
121211-39-0- Standard SMILES
COc1cccc2c1C(=O)c1c(O)cc(CN(CCO)CCO)cc1C2=O.Cl- InChIKey
VSFVNWAUHHWCPX-UHFFFAOYSA-N- Molecular formula
- C20H22ClNO6
- Average molar mass
- 407.8 g/mol
- Monoisotopic mass
- 407.1135651
Names & identifiers
- Preferred name
- 3-[[Bis(2-hydroxyethyl)amino]methyl]-1-hydroxy-8-methoxyanthracene-9,10-dione;hydrochloride
- IUPAC
- 3-[[bis(2-hydroxyethyl)amino]methyl]-1-hydroxy-8-methoxyanthracene-9,10-dione;hydrochloride
Names & synonyms
SK 31653121211-39-0DTXSID501531913-{[Bis(2-hydroxyethyl)amino]methyl}-1-hydroxy-8-methoxyanthracene-9,10-dione--hydrogen chloride (1/1)
Database identifiers
- CAS
121211-39-0- PubChem CID
- 147678
- DTXSID
DTXSID50153191
Properties
Computed structural properties
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 535
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…