| ID | 3439 |
| Name | Tretoquinol |
| Pubchem ID | 656634 |
| KEGG ID | D01978 |
| Source | N/A |
| Type | Unknown |
| Function | Bronchodilator |
| Drug Like Properties | No |
| Molecular Weight | 381.85 |
| Exact mass | 381.134301 |
| Molecular formula | C19H24ClNO5 |
| XlogP | N/A |
| Topological Polar Surface Area | 80.2 |
| H-Bond Donor | 4 |
| H-Bond Acceptor | 6 |
| Rotational Bond Count | 5 |
| IUPAC Name | (1S)-1-[(3,4,5-trimethoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol hydrochloride |
| Structure | |
| SDF file | |
| MOL file | |
| PDB file | |
| Canonical SMILE | COC1=CC(=CC(=C1OC)OC)CC2C3=CC(=C(C=C3CCN2)O)O.Cl |
| Isomeric SMILE | COC1=CC(=CC(=C1OC)OC)C[C@H]2C3=CC(=C(C=C3CCN2)O)O.Cl |
| Drugpedia | wiki |
| References | 1. Source 2. Function 3. All Records |