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11β,16α,17,21-Tetrahydroxypregn-4-en-3,20-dion
-Hydroxycortisol · 16α-Hydroxycortisol · 16a-Hydroxycortisol · Budesonide Impurity 41 · Budesonide Impurity 54 · Budesonide Impurity 10 · 16Alpha-Hydroxycortisol · Budesonide EP Impurity 10
Identifikatoren & physikalische Daten
| CAS No. | 1171-81-9 |
|---|---|
| Summenformel | C21H30O6 |
| Durchschnittliche Molmasse | 378,5 g/mol |
| Monoisotopische Masse | 378,20423868 g/mol |
| SMILES | C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1C[C@@H](O)[C@]2(O)C(=O)CO |
| InChIKey | SQPRYYSTJMNHSK-ILNISADRSA-N |
| PubChem CID | 102003 |
| EC No. | 214-627-4 |
| DTXSID | DTXSID90922287 |
| Lokaler Name | 11β,16α,17,21-Tetrahydroxypregn-4-en-3,20-dion |
Chemische & physikalische Eigenschaften
| XLogP | 1,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 115 |
| H-Brücken-Donoren | 4 |
| H-Brücken-Akzeptoren | 6 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 27 |
| Formalladung | 0 |
| Komplexität | 715 |
| Endocrine Disruptors | Potential endocrine disrupting compound |
| Schmelzpunkt | >217°C (dec.) |
| Siedepunkt | 587.1±50.0 °C(Predicted) |
| Dichte | 1.35±0.1 g/cm3(Predicted) |
| Lagerbedingungen | -20°C Freezer |
| Löslichkeit | DMSO (slightly), Methanol (Slightly, Heated) |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | 11.94±0.70(Predicted) |
| Farbe | White to Off-White |
Anwendungen & Verwendung
Verwenden
11β,16α,17,21-Tetrahydroxypregn-4-ene-3,20-dione is a metabolite of Hydroxycortisone (H714615), a steroid hormone, more specifically a glucocorticoid, produced by the zona fasciculata of the adrenal gland. Its primary functions are to increase blood sugar through gluconeogenesis; suppress the immune system; and aid in fat, protein and carbohydrate metabolism.