| ID | 2774 |
| Name | Nicospan |
| Pubchem ID | 6438834 |
| KEGG ID | N/A |
| Source | N/A |
| Type | Unknown |
| Function | Unknown |
| Drug Like Properties | No |
| Molecular Weight | 557.08 |
| Exact mass | 556.234015 |
| Molecular formula | C30H37ClN2O6 |
| XlogP | N/A |
| Topological Polar Surface Area | 99.1 |
| H-Bond Donor | 3 |
| H-Bond Acceptor | 8 |
| Rotational Bond Count | 10 |
| IUPAC Name | (3E)-3-[(3,4-diethoxyphenyl)methylidene]-6,7-diethoxy-2,4-dihydro-1H-isoquinoline; pyridine-3-carboxylic acid; hydrochloride |
| Structure | |
| SDF file | |
| MOL file | |
| PDB file | |
| Canonical SMILE | CCOC1=C(C=C(C=C1)C=C2CC3=CC(=C(C=C3CN2)OCC)OCC)OCC.C1=CC(=CN=C1)C(=O)O.Cl |
| Isomeric SMILE | CCOC1=C(C=C(C=C1)/C=C/2CC3=CC(=C(C=C3CN2)OCC)OCC)OCC.C1=CC(=CN=C1)C(=O)O.Cl |
| Drugpedia | wiki |
| References | 1. Source 2. Function 3. All Records |