| ID | 2687 |
| Name | Metocurine |
| Pubchem ID | 24244 |
| KEGG ID | D00761 |
| Source | Cyclea hainanensis |
| Type | Natural |
| Function | Anesthesia adjuvant |
| Drug Like Properties | No |
| Molecular Weight | 906.63 |
| Exact mass | 906.160173 |
| Molecular formula | C40H48I2N2O6 |
| XlogP | N/A |
| Topological Polar Surface Area | 55.4 |
| H-Bond Donor | 0 |
| H-Bond Acceptor | 8 |
| Rotational Bond Count | 4 |
| IUPAC Name | N/A |
| Structure | |
| SDF file | |
| MOL file | |
| PDB file | |
| Canonical SMILE | C[N+]1(CCC2=CC(=C3C=C2C1CC4=CC=C(C=C4)OC5=C6C(CC7=CC(=C(C=C7)OC)O3)[N+](CCC6=CC(=C5OC)OC)(C)C)OC)C.[I-].[I-] |
| Isomeric SMILE | C[N+]1(CCC2=CC(=C3C=C2[C@@H]1CC4=CC=C(C=C4)OC5=C6[C@@H](CC7=CC(=C(C=C7)OC)O3)[N+](CCC6=CC(=C5OC)OC)(C)C)OC)C.[I-].[I-] |
| Drugpedia | wiki |
| References | 1. Source 2. Function 3. All Records |