HuagongsheHuagongshe Chemistry Print Report · For research reference only
Nantradol
Nantradol · Nantradol [inn]
Identifiers & Physical Properties
| CAS No. | 65511-41-3 |
|---|---|
| Molecular formula | C27H35NO4 |
| Average molar mass | 437.6 g/mol |
| Monoisotopic mass | 437.2566086 g/mol |
| SMILES | CC(=O)Oc1cc(OC(C)CCCc2ccccc2)cc2c1[C@@H]1C[C@H](O)CC[C@H]1[C@H](C)N2 |
| InChIKey | FFVXQGMUHIJQAO-KXUCESEGSA-N |
| PubChem CID | 47653 |
| ChEMBL | CHEMBL2110953 |
| DTXSID | DTXSID601024354 |
Chemical & Physical Properties
| XLogP | 5.5 |
|---|---|
| Topological polar surface area | 67.8 |
| Hydrogen bond donors | 2 |
| Hydrogen bond acceptors | 5 |
| Rotatable bonds | 8 |
| Heavy atoms | 32 |
| Formal charge | 0 |
| Complexity | 606 |
| Boiling point | 591.717±50.00 °C(Press: 760.00 Torr)(predicted) |
| Density | 1.122±0.06 g/cm3(Temp: 25 °CPress: 760 Torr)(predicted) |
| pKa (acidity coefficient) | 14.958±0.40(predicted) |
| FDA UNII | 9KB5WI7MQ6 |
Applications & Uses
Uses
Analgesic.