Basic information
- CAS
70711-40-9- Standard SMILES
CC(=O)[O-].CC(=O)[O-].O=C1c2ccccc2C(=O)c2c(NCC[NH2+]CCO)ccc(NCC[NH2+]CCO)c21- InChIKey
IGCAUIJHGNYDKE-UHFFFAOYSA-N- Molecular formula
- C26H36N4O8
- Average molar mass
- 532.6 g/mol
- Monoisotopic mass
- 532.25331412
Overview
See also: Ametantrone Acetate (preferred); Ametantrone (has active moiety).
Names & identifiers
- Preferred name
- 2-Hydroxyethyl-[2-[[4-[2-(2-hydroxyethylazaniumyl)ethylamino]-9,10-dioxoanthracen-1-yl]amino]ethyl]azanium diacetate
- IUPAC
- 2-hydroxyethyl-[2-[[4-[2-(2-hydroxyethylazaniumyl)ethylamino]-9,10-dioxoanthracen-1-yl]amino]ethyl]azanium diacetate
Names & synonyms
HAQNS00121287
Database identifiers
- CAS
70711-40-9- PubChem CID
- 51150
Properties
Computed structural properties
- Topological polar surface area
- 212 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 12
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 539
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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