| ID | 2896 |
| Name | Papaveraldine |
| Pubchem ID | 5361176 |
| KEGG ID | N/A |
| Source | Degradation product of papaverine |
| Type | Unknown |
| Function | Relaxant |
| Drug Like Properties | No |
| Molecular Weight | 444.91 |
| Exact mass | 444.1452 |
| Molecular formula | C23H25ClN2O5 |
| XlogP | N/A |
| Topological Polar Surface Area | 73 |
| H-Bond Donor | 1 |
| H-Bond Acceptor | 7 |
| Rotational Bond Count | 9 |
| IUPAC Name | (E)-[(6,7-dimethoxyisoquinolin-1-yl)-(3,4-dimethoxyphenyl)methylidene]-prop-2-enoxyazanium chloride |
| Structure | |
| SDF file | |
| MOL file | |
| PDB file | |
| Canonical SMILE | COC1=C(C=C(C=C1)C(=[NH+]OCC=C)C2=NC=CC3=CC(=C(C=C32)OC)OC)OC.[Cl-] |
| Isomeric SMILE | COC1=C(C=C(C=C1)/C(=[NH+]OCC=C)/C2=NC=CC3=CC(=C(C=C32)OC)OC)OC.[Cl-] |
| Drugpedia | wiki |
| References | 1. Source 2. Function 3. All Records |