HuagongsheHuagongshe Chemistry Print Report · For research reference only
Clibucaine
Clibucaine · N-(2,4-dichlorophenyl)-3-(piperidin-1-yl)butanamide · 1-Piperidinepropanamide,N-(2,4-dichlorophenyl)-b-methyl- · 1-Piperidinepropanamide, N-(2,4-dichlorophenyl)-β-methyl-
Identifiers & Physical Properties
| CAS No. | 15302-10-0 |
|---|---|
| Molecular formula | C15H20Cl2N2O |
| Average molar mass | 315.2 g/mol |
| Monoisotopic mass | 314.0952687 g/mol |
| SMILES | CC(CC(=O)Nc1ccc(Cl)cc1Cl)N1CCCCC1 |
| InChIKey | GDDYCOSWVJRUHM-UHFFFAOYSA-N |
| PubChem CID | 65613 |
| ChEMBL | CHEMBL2104620 |
| DTXSID | DTXSID80864581 |
Chemical & Physical Properties
| XLogP | 3.4 |
|---|---|
| Topological polar surface area | 32.3 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 2 |
| Rotatable bonds | 4 |
| Heavy atoms | 20 |
| Formal charge | 0 |
| Complexity | 321 |
| Human Drugs | Pharmaceuticals |
| Boiling point | 466.8±45.0 °C(Predicted) |
| Density | 1+-.0.06 g/cm3(Predicted) |
| pKa (acidity coefficient) | 13.02±0.70(Predicted) |
| FDA UNII | NB2ZOX88RR |
Applications & Uses
Uses
Clibucaine is a piperidine derivative possessing local agent that can suppress or relieve pain. Clibucaine can be used as a local agent that can suppress or relieve pain[1].