| ID | 1254 |
| Name | Atracurium |
| Pubchem ID | 23641207 |
| KEGG ID | N/A |
| Source | N/A |
| Type | Unknown |
| Function | Neuromuscular blocking agent |
| Drug Like Properties | No |
| Molecular Weight | 1086.31 |
| Exact mass | 1085.504466 |
| Molecular formula | C59H77N2O15S+ |
| XlogP | N/A |
| Topological Polar Surface Area | 184 |
| H-Bond Donor | 0 |
| H-Bond Acceptor | 15 |
| Rotational Bond Count | 26 |
| IUPAC Name | benzenesulfonate;5-[3-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propanoyloxy]pentyl3-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propanoate |
| Structure | |
| SDF file | |
| MOL file | |
| PDB file | |
| Canonical SMILE | C[N+]1(CCC2=CC(=C(C=C2C1CC3=CC(=C(C=C3)OC)OC)OC)OC)CCC(=O)OCCCCCOC(=O)CC[N+]4(CCC5=CC(=C(C=C5C4CC6=CC(=C(C=C6)OC)OC)OC)OC)C.C1=CC=C(C=C1)S(=O)(=O)[O-] |
| Isomeric SMILE | N/A |
| Drugpedia | wiki |
| References | 1. Source 2. Function 3. All Records |