| ID | 1556 |
| Name | Bicuculline methochloride |
| Pubchem ID | 123659 |
| KEGG ID | N/A |
| Source | Guaternary analog of bicuculline |
| Type | Unknown |
| Function | GABA antagonist |
| Drug Like Properties | No |
| Molecular Weight | 431.87 |
| Exact mass | 431.113565 |
| Molecular formula | C22H22ClNO6 |
| XlogP | N/A |
| Topological Polar Surface Area | 63.2 |
| H-Bond Donor | 0 |
| H-Bond Acceptor | 7 |
| Rotational Bond Count | 1 |
| IUPAC Name | (6R)-6-[(5S)-6,6-dimethyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-yl]-6-methylfuro[4,3-g][1,3]benzodioxol-8-onechloride |
| Structure | |
| SDF file | |
| MOL file | |
| PDB file | |
| Canonical SMILE | CC1(C2=C(C3=C(C=C2)OCO3)C(=O)O1)C4C5=CC6=C(C=C5CC[N+]4(C)C)OCO6.[Cl-] |
| Isomeric SMILE | C[C@@]1(C2=C(C3=C(C=C2)OCO3)C(=O)O1)[C@@H]4C5=CC6=C(C=C5CC[N+]4(C)C)OCO6.[Cl-] |
| Drugpedia | wiki |
| References | 1. Source 2. Function 3. All Records |