| ID | 1106 |
| Name | Alcuronium |
| Pubchem ID | 23724793 |
| KEGG ID | D01215 |
| Source | N/A |
| Type | Unknown |
| Function | Skeletal muscle relaxant |
| Drug Like Properties | No |
| Molecular Weight | 737.80 |
| Exact mass | 736.331082 |
| Molecular formula | C44H50Cl2N4O2 |
| XlogP | N/A |
| Topological Polar Surface Area | 46.9 |
| H-Bond Donor | 2 |
| H-Bond Acceptor | 6 |
| Rotational Bond Count | 6 |
| IUPAC Name | N/A |
| Structure | |
| SDF file | |
| MOL file | |
| PDB file | |
| Canonical SMILE | C=CC[N+]12CCC34C1CC(C(=CCO)C2)C5=CN6C7C(=CN(C53)C8=CC=CC=C48)C9CC1C7(CC[N+]1(CC9=CCO)CC=C)C1=CC=CC=C16.[Cl-].[Cl-] |
| Isomeric SMILE | C=CC[N@@+]12CC[C@@]34[C@@H]1C[C@@H](/C(=CCO)/C2)/C/5=C/N6C7/C(=CN(C53)C8=CC=CC=C48)/C9C[C@H]1[C@@]7(CC[N@+]1(C/C9=C/CO)CC=C)C1=CC=CC=C16.[Cl-].[Cl-] |
| Drugpedia | wiki |
| References | 1. Source 2. Function 3. All Records |
| ID | 1108 |
| Name | Alcuronium |
| Pubchem ID | 3032788 |
| KEGG ID | N/A |
| Source | N/A |
| Type | Unknown |
| Function | Skeletal muscle relaxant |
| Drug Like Properties | No |
| Molecular Weight | 666.89 |
| Exact mass | 666.393377 |
| Molecular formula | C44H50N4O2+2 |
| XlogP | 3.1 |
| Topological Polar Surface Area | 46.9 |
| H-Bond Donor | 2 |
| H-Bond Acceptor | 4 |
| Rotational Bond Count | 6 |
| IUPAC Name | N/A |
| Structure | |
| SDF file | |
| MOL file | |
| PDB file | |
| Canonical SMILE | C=CC[N+]12CCC34C1CC(C(=CCO)C2)C5=CN6C7C(=CN(C53)C8=CC=CC=C48)C9CC1C7(CC[N+]1(CC9=CCO)CC=C)C1=CC=CC=C16 |
| Isomeric SMILE | C=CC[N@@+]12[C@@H]3[C@]4(C5=CC=CC=C5N/6C4/C(=CN7C8/C(=C6)/[C@@H]9C(=CCO)C[N@+]4([C@H]([C@]8(C5=CC=CC=C75)CC4)C9)CC=C)/[C@@H](C3)C(=CCO)C1)CC2 |
| Drugpedia | wiki |
| References | 1. Source 2. Function 3. All Records |
| ID | 2734 |
| Name | Nalbuphine |
| Pubchem ID | 5360733 |
| KEGG ID | D00843 |
| Source | N/A |
| Type | Unknown |
| Function | Skeletal muscle relaxant |
| Drug Like Properties | No |
| Molecular Weight | 393.90 |
| Exact mass | 393.170686 |
| Molecular formula | C21H28ClNO4 |
| XlogP | N/A |
| Topological Polar Surface Area | 73.2 |
| H-Bond Donor | 4 |
| H-Bond Acceptor | 5 |
| Rotational Bond Count | 2 |
| IUPAC Name | N/A |
| Structure | |
| SDF file | |
| MOL file | |
| PDB file | |
| Canonical SMILE | C1CC(C1)CN2CCC34C5C(CCC3(C2CC6=C4C(=C(C=C6)O)O5)O)O.Cl |
| Isomeric SMILE | C1CC(C1)CN2CC[C@]34[C@@H]5[C@H](CC[C@]3([C@H]2CC6=C4C(=C(C=C6)O)O5)O)O.Cl |
| Drugpedia | wiki |
| References | 1. Source 2. Function 3. All Records |