| ID | 2821 |
| Name | NSC168212 |
| Pubchem ID | 5458366 |
| KEGG ID | N/A |
| Source | N/A |
| Type | Unknown |
| Function | Unknown |
| Drug Like Properties | No |
| Molecular Weight | 473.50 |
| Exact mass | 473.114437 |
| Molecular formula | C23H23NO8S |
| XlogP | N/A |
| Topological Polar Surface Area | 126 |
| H-Bond Donor | 1 |
| H-Bond Acceptor | 8 |
| Rotational Bond Count | 4 |
| IUPAC Name | 2-sulfoacetate;2,3,11-trimethoxy-8-methylisoquinolino[3,2-a]isoquinolin-7-ium |
| Structure | |
| SDF file | |
| MOL file | |
| PDB file | |
| Canonical SMILE | CC1=C2C=CC(=CC2=CC3=[N+]1C=CC4=CC(=C(C=C43)OC)OC)OC.C(C(=O)[O-])S(=O)(=O)O |
| Isomeric SMILE | N/A |
| Drugpedia | wiki |
| References | 1. Source 2. Function 3. All Records |