HuagongsheHuagongshe Chemistry Print Report · For research reference only
Dimethisterone
Ovin · P 5048 · Lutogan · Secrosteron · DIMETHISTERONE · DIMETHISTERONE USP/EP/BP · 6α,21-Dimethylethisterone · 6α-Methyl-17-(1-propynyl)testosterone
Identifiers & Physical Properties
| CAS No. | 79-64-1 |
|---|---|
| Molecular formula | C23H32O2 |
| Average molar mass | 340.5 g/mol |
| Monoisotopic mass | 340.24023026 g/mol |
| SMILES | CC#C[C@]1(O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C |
| InChIKey | LVHOURKCKUYIGK-RGUJTQARSA-N |
| PubChem CID | 6607 |
| ChEMBL | CHEMBL2106347 |
| ChEBI | CHEBI:4606 |
| EC No. | 201-215-4 |
| DTXSID | DTXSID5057834 |
Chemical & Physical Properties
| XLogP | 4.4 |
|---|---|
| Topological polar surface area | 37.3 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 2 |
| Rotatable bonds | 1 |
| Heavy atoms | 25 |
| Formal charge | 0 |
| Complexity | 706 |
| Melting point | 102° |
| alpha | D20 +10° (c = 1 in chloroform) |
| Boiling point | 416.28°C (rough estimate) |
| Density | 1.0555 (rough estimate) |
| Refractive index | 1.4480 (estimate) |
| pKa (acidity coefficient) | 13.03±0.70(Predicted) |
| FDA UNII | OIC9M646C5 |
| EPA Substance Registry System | Dimethisterone (79-64-1) |
Applications & Uses
Uses
Dimethisterone-d3 is the labeled analogue of Dimethisterone (D460430), an oral contraceptive steroid.