HuagongsheHuagongshe Chemistry Print Report · For research reference only
Norgestrienone
R-2010 · Planor · RU-2010 · Ogyline · norgestrienone · Ethynyl trienolone · (17R)-17-Hydroxy-19-norpregna-4,9,11-trien-20-yn-3-one · 17-Hydroxy-19-nor-17alpha-pregna-4,9,11-trien-20-yn-3-one
Identifiers & Physical Properties
| CAS No. | 848-21-5 |
|---|---|
| Molecular formula | C20H22O2 |
| Average molar mass | 294.4 g/mol |
| Monoisotopic mass | 294.16197994 g/mol |
| SMILES | C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3C=C[C@@]21C |
| InChIKey | GVDMJXQHPUYPHP-FYQPLNBISA-N |
| PubChem CID | 13313 |
| ChEMBL | CHEMBL1908319 |
| ChEBI | CHEBI:135231 |
| EC No. | 212-698-6 |
| DTXSID | DTXSID30878491 |
Chemical & Physical Properties
| XLogP | 1.8 |
|---|---|
| Topological polar surface area | 37.3 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 2 |
| Rotatable bonds | 1 |
| Heavy atoms | 22 |
| Formal charge | 0 |
| Complexity | 698 |
| Endocrine Disruptors | Potential endocrine disrupting compound |
| Melting point | 169° |
| alpha | D20 +63° (c = 0.5 in alc) |
| Boiling point | 376.15°C (rough estimate) |
| Density | 1.1129 (rough estimate) |
| Refractive index | 1.4800 (estimate) |
| pKa (acidity coefficient) | 12.76±0.40(Predicted) |
| Color | Pale-yellow needles from diisopropyl ether |
| FDA UNII | 89386PYU9O |
| ATC code | G03AC07 |
Safety & Regulations
| GHS classification | DangerH301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 3 (100%) |
Applications & Uses
Uses
Norgestrienone is a progestin receptor agonist. Norgestrienone is commonly used as a progesterone compound in birth control pills and can be combined with ethinylestradiol. Norgestrienone is a click chemical. It contains Alkyne groups and can undergo copper-catalyzed azide-alkyne cycloaddition reactions (CuAAc) with molecules containing Azide groups. Norgestrienone can be used in the study of hereditary angioneurotic edema[1][2].