HuagongsheHuagongshe Chemistry Print Report · For research reference only
Tropodifene
Tropaphen · Tropodifene · (8-Methyl-8-azabicyclo[3.2.1]octan-3-yl) 3-(4-acetyloxyphenyl)-2-phenylpropanoate · Benzenepropanoic acid, 4-(acetyloxy)-α-phenyl-, (3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester
Identifiers & Physical Properties
| CAS No. | 15790-02-0 |
|---|---|
| Molecular formula | C25H29NO4 |
| Average molar mass | 407.5 g/mol |
| Monoisotopic mass | 407.20965841 g/mol |
| SMILES | CC(=O)Oc1ccc(CC(C(=O)OC2C[C@H]3CC[C@@H](C2)N3C)c2ccccc2)cc1 |
| InChIKey | WYYRXLABEPJODI-ZLPMCDRXSA-N |
| PubChem CID | 65621 |
| ChEMBL | CHEMBL2105598 |
| DTXSID | DTXSID401043138 |
Chemical & Physical Properties
| XLogP | 4.2 |
|---|---|
| Topological polar surface area | 55.8 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 5 |
| Rotatable bonds | 8 |
| Heavy atoms | 30 |
| Formal charge | 0 |
| Complexity | 580 |
| Boiling point | 508.5±50.0 °C(Predicted) |
| Density | 1.20±0.1 g/cm3(Predicted) |
| Storage conditions | Store at -20°C |
| Solubility | Soluble in DMSO |
| pKa (acidity coefficient) | 9.99±0.40(Predicted) |
| FDA UNII | 7W0QT89YCD |
Applications & Uses
Uses
Tropodifene (Tropaphen) is an α-Adrenergic receptor inhibitor.