HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
3-Hydroxy-19-norpregn-4-en-20-yn-17-yl acetate
SC-12222 · Ethynodiol-17-Acetate · Ethinodiol 17-acetate · WJCWCFAFTXVJQT-KAKDVIIHSA-N · Norethynodiol 17-monoacetate · (17R)-19-Norpregn-4-en-20-yne-3β,17-diol 17-acetate · 19-Norpregn-4-en-20-yne-3,17-diol, 17-acetate, (3β,17α)-
Identifikatoren & physikalische Daten
| CAS No. | 2061-46-3 |
|---|---|
| Summenformel | C22H30O3 |
| Durchschnittliche Molmasse | 342,5 g/mol |
| Monoisotopische Masse | 342,21949481 g/mol |
| SMILES | C#CC1(OC(C)=O)CC[C@H]2[C@@H]3CCC4=C[C@@H](O)CC[C@@H]4[C@H]3CC[C@@]21C |
| InChIKey | WJCWCFAFTXVJQT-PMJAAYJESA-N |
| PubChem CID | 200425 |
| DTXSID | DTXSID20942796 |
Chemische & physikalische Eigenschaften
| XLogP | 3,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 46,5 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 25 |
| Formalladung | 0 |
| Komplexität | 655 |
| Schmelzpunkt | 161-164°C |
| Siedepunkt | 452.6±45.0 °C(Predicted) |
| Dichte | 1.15±0.1 g/cm3(Predicted) |
| Lagerbedingungen | -20°C Freezer, Under inert atmosphere |
| Löslichkeit | Chloroform (Slightly), DMSO (Slightly), Ethanol (Slightly), Ethyl Acetate (Slightly) |
| pKa (Säurekonstante) | 14.32±0.60(Predicted) |
| Aggregatzustand | Solid |
| Farbe | White to Off-White |
Anwendungen & Verwendung
Verwenden
Norethynodiol 17-Monoacetate is a steroidal progestin and is used in the synthesis of cyclopentylpropionic ester of norethisterol acetate which works as a long-acting contraceptive.