| ID | 2043 |
| Name | Diquafosol |
| Pubchem ID | 148196 |
| KEGG ID | D03864 |
| Source | N/A |
| Type | Unknown |
| Function | Purinoceptor P2Y(2) receptor agonist |
| Drug Like Properties | No |
| Molecular Weight | 878.23 |
| Exact mass | 877.921608 |
| Molecular formula | C18H22N4Na4O23P4 |
| XlogP | N/A |
| Topological Polar Surface Area | 405 |
| H-Bond Donor | 6 |
| H-Bond Acceptor | 23 |
| Rotational Bond Count | 14 |
| IUPAC Name | tetrasodium[[[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl]oxy-oxidophosphoryl][(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphate |
| Structure | |
| SDF file | |
| MOL file | |
| PDB file | |
| Canonical SMILE | C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OCC3C(C(C(O3)N4C=CC(=O)NC4=O)O)O)O)O.[Na+].[Na+].[Na+].[Na+] |
| Isomeric SMILE | C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=CC(=O)NC4=O)O)O)O)O.[Na+].[Na+].[Na+].[Na+] |
| Drugpedia | wiki |
| References | 1. Source 2. Function 3. All Records |