| ID | 3431 |
| Name | THPV HBr |
| Pubchem ID | 27976 |
| KEGG ID | N/A |
| Source | N/A |
| Type | Unknown |
| Function | Unknown |
| Drug Like Properties | No |
| Molecular Weight | 368.22 |
| Exact mass | 367.041921 |
| Molecular formula | C16H18BrNO4 |
| XlogP | N/A |
| Topological Polar Surface Area | 97.5 |
| H-Bond Donor | 5 |
| H-Bond Acceptor | 5 |
| Rotational Bond Count | 2 |
| IUPAC Name | 1-[(3,4-dihydroxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-2-ium-6,7-diol bromide |
| Structure | |
| SDF file | |
| MOL file | |
| PDB file | |
| Canonical SMILE | C1C[NH2+]C(C2=CC(=C(C=C21)O)O)CC3=CC(=C(C=C3)O)O.[Br-] |
| Isomeric SMILE | N/A |
| Drugpedia | wiki |
| References | 1. Source 2. Function 3. All Records |