HuagongsheHuagongshe Chemistry Print Report · For research reference only
Floxacrine
HOE-991 · Floxacrine · 7-Chloro-3,4-dihydro-10-hydroxy-3-[p-(trifluoromethyl)phenyl]-1,9(2H,10H)-acridinedione · 1,9(2H,10H)-Acridinedione, 7-chloro-3,4-dihydro-10-hydroxy-3-[4-(trifluoromethyl)phenyl]-
Identifiers & Physical Properties
| CAS No. | 53966-34-0 |
|---|---|
| Molecular formula | C20H13ClF3NO3 |
| Average molar mass | 407.8 g/mol |
| Monoisotopic mass | 407.05360562 g/mol |
| SMILES | O=C1CC(c2ccc(C(F)(F)F)cc2)Cc2c1c(=O)c1cc(Cl)ccc1n2O |
| InChIKey | AWHZKKVSUJJVNL-UHFFFAOYSA-N |
| PubChem CID | 68708 |
| ChEMBL | CHEMBL333634 |
| DTXSID | DTXSID30866373 |
Chemical & Physical Properties
| XLogP | 3.5 |
|---|---|
| Topological polar surface area | 57.6 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 7 |
| Rotatable bonds | 1 |
| Heavy atoms | 28 |
| Formal charge | 0 |
| Complexity | 699 |
| LogP (partition coefficient) | 3.46 |
| FDA UNII | V09GC6329G |
Applications & Uses
Uses
Floxacrine (HOE-991) is a dihydroacridinedione derivative with antimalarial activity. Floxacrine can be used to study its activity against different Plasmodium species[1].