HuagongsheHuagongshe Chemistry Print Report · For research reference only
Delequamine
RS-42206 · Delequamine · RS-15385-197 · Delequamine [inn] · (8aR)-5,8,8aα,9,10,11,12,12aα,13,13aα-Decahydro-12-(methylsulfonyl)-3-methoxy-6H-isoquino[2,1-g][1,6]naphthyridine · (8aR)-3-Methoxy-12-(methylsulfonyl)-5,8,8aα,9,10,11,12,12aα,13,13aα-decahydro-6H-isoquino[2,1-g][1,6]naphthyridine · 6H-Isoquino[2,1-g][1,6]naphthyridine, 5,8,8a,9,10,11,12,12a,13,13a-decahydro-3-methoxy-12-(methylsulfonyl)-, (8aR,12aS,13aS)-
Identifiers & Physical Properties
| CAS No. | 119813-87-5 |
|---|---|
| Molecular formula | C18H26N2O3S |
| Average molar mass | 350.5 g/mol |
| Monoisotopic mass | 350.16641387 g/mol |
| SMILES | COc1ccc2c(c1)CCN1C[C@H]3CCCN(S(C)(=O)=O)[C@H]3C[C@@H]21 |
| InChIKey | JKDBLHWERQWYKF-JLSDUUJJSA-N |
| PubChem CID | 60713 |
| ChEMBL | CHEMBL163911 |
Chemical & Physical Properties
| XLogP | 2 |
|---|---|
| Topological polar surface area | 58.2 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 5 |
| Rotatable bonds | 2 |
| Heavy atoms | 24 |
| Formal charge | 0 |
| Complexity | 561 |
| Boiling point | 507.476±60.00 °C(Press: 760.00 Torr)(predicted) |
| Density | 1.300±0.10 g/cm3(Temp: 25 °CPress: 760 Torr)(predicted) |
| pKa (acidity coefficient) | 7.696±0.20(predicted) |
| FDA UNII | L37HF85G8S |
Applications & Uses
Uses
Impotence therapy adjunct.