| ID | 1644 |
| Name | Buprenorphine |
| Pubchem ID | 11969480 |
| KEGG ID | N/A |
| Source | Derivative of thebaine |
| Type | Unknown |
| Function | Kappa agonist(Partial) |
| Drug Like Properties | No |
| Molecular Weight | 504.10 |
| Exact mass | 503.280237 |
| Molecular formula | C29H42ClNO4 |
| XlogP | N/A |
| Topological Polar Surface Area | 62.2 |
| H-Bond Donor | 3 |
| H-Bond Acceptor | 5 |
| Rotational Bond Count | 5 |
| IUPAC Name | N/A |
| Structure | |
| SDF file | |
| MOL file | |
| PDB file | |
| Canonical SMILE | CC(C)(C)C(C)(C1CC23CCC1(C4C25CCN(C3CC6=C5C(=C(C=C6)O)O4)CC7CC7)OC)O.Cl |
| Isomeric SMILE | C[C@]([C@H]1C[C@@]23CCC1([C@H]4[C@@]25CCN([C@@H]3CC6=C5C(=C(C=C6)O)O4)CC7CC7)OC)(C(C)(C)C)O.Cl |
| Drugpedia | wiki |
| References | 1. Source 2. Function 3. All Records |
| ID | 1649 |
| Name | Buprenorphine |
| Pubchem ID | 441363 |
| KEGG ID | D07132 |
| Source | N/A |
| Type | Unknown |
| Function | Kappa agonist(Partial) |
| Drug Like Properties | Yes |
| Molecular Weight | 467.64 |
| Exact mass | 467.303559 |
| Molecular formula | C29H41NO4 |
| XlogP | 5 |
| Topological Polar Surface Area | 62.2 |
| H-Bond Donor | 2 |
| H-Bond Acceptor | 5 |
| Rotational Bond Count | 5 |
| IUPAC Name | N/A |
| Structure | |
| SDF file | |
| MOL file | |
| PDB file | |
| Canonical SMILE | CC(C)(C)C(C)(C1CC23CCC1(C4C25CCN(C3CC6=C5C(=C(C=C6)O)O4)CC7CC7)OC)O |
| Isomeric SMILE | CC(C)(C)C(C)([C@H]1C[C@@]23CCC1([C@H]4[C@@]25CCN([C@@H]3CC6=C5C(=C(C=C6)O)O4)CC7CC7)OC)O |
| Drugpedia | wiki |
| References | 1. Source 2. Function 3. All Records |