HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Pregn-4-en-3,11,20-trion
4-PREGNENE-3,11,20-TRIONE · u1258 · ketogestin · ketoprogesterone · 11-oxoprogesterone · 11-Ketoprogesterone · 4-PREGNEN-3,11,20-TRIONE · Pregn-4-en-3,11,20-trione
Identifikatoren & physikalische Daten
| CAS No. | 516-15-4 |
|---|---|
| Summenformel | C21H28O3 |
| Durchschnittliche Molmasse | 328,4 g/mol |
| Monoisotopische Masse | 328,20384475 g/mol |
| SMILES | CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C |
| InChIKey | WKAVAGKRWFGIEA-DADBAOPHSA-N |
| PubChem CID | 94166 |
| ChEMBL | CHEMBL284253 |
| ChEBI | CHEBI:166773 |
| EC No. | 208-222-1 |
| DTXSID | DTXSID101031475 |
| Lokaler Name | Pregn-4-en-3,11,20-trion |
Chemische & physikalische Eigenschaften
| XLogP | 2,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 51,2 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 24 |
| Formalladung | 0 |
| Komplexität | 660 |
| SpringerMaterials Properties | Chemical shift |
| Schmelzpunkt | 170-175 °C(lit.) |
| Siedepunkt | 487.6±45.0 °C(Predicted) |
| Dichte | 1.14±0.1 g/cm3(Predicted) |
| Lagerbedingungen | Refrigerator |
| Löslichkeit | Chloroform (Sparingly), Ethyl Acetate (Slightly) |
| Aggregatzustand | crystalline |
| Farbe | white |
| CAS Datenbank | 516-15-4(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH301 (97.5%): Toxic if swallowed [Danger Acute toxicity, oral]P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 3 (97.5%) |
| RTECS-Nr. | TU5513000 |
Anwendungen & Verwendung
Verwenden
11-Ketoprogesterone is a metabolite of Progesterone which is a steroid hormone Inducing maturation and secretory activity of the uterine endothelium. Progesterone is implicated in the etiology of breast cancer.