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11β,17,21-Trihydroxypregna-1,4-dien-3,20-dion-21-(3,3-dimethylbutyrat)
Prednisolonetebutate · Methylprednisolone Impurity 35 · Predalone TBA · Hydeltra-T.B.A. · Einecs 231-661-5 · Codelcortone TBA · Prednisolone TBA · 21-tert-Butylacetate
Identifikatoren & physikalische Daten
| CAS No. | 7681-14-3 |
|---|---|
| Summenformel | C27H38O6 |
| Durchschnittliche Molmasse | 458,6 g/mol |
| Monoisotopische Masse | 458,26683893 g/mol |
| SMILES | CC(C)(C)CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C |
| InChIKey | HUMXXHTVHHLNRO-KAJVQRHHSA-N |
| PubChem CID | 93055 |
| ChEMBL | CHEMBL1200909 |
| ChEBI | CHEBI:8381 |
| EC No. | 231-661-5 |
| DTXSID | DTXSID8023505 |
| Lokaler Name | 11β,17,21-Trihydroxypregna-1,4-dien-3,20-dion-21-(3,3-dimethylbutyrat) |
Chemische & physikalische Eigenschaften
| XLogP | 4,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 101 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 6 |
| Frei drehbare Bindungen | 6 |
| Schwere Atome | 33 |
| Formalladung | 0 |
| Komplexität | 925 |
| Human Drugs | FDA approved drugs -> Active ingredient |
| Schmelzpunkt | 266-273° |
| Siedepunkt | 606.7±55.0 °C(Predicted) |
| Dichte | 1.21±0.1 g/cm3(Predicted) |
| Lagerbedingungen | -20°C Freezer, Under inert atmosphere |
| Löslichkeit | Dioxane (Slightly, Sonicated), DMSO (Slightly), Methanol (Slightly, Sonicated) |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | 12.32±0.70(Predicted) |
| Farbe | White to Off-White |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH360D (100%): May damage the unborn child [Danger Reproductive toxicity]P203, P280, P318, 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 | Repr. 1B (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 2937290000 |
Anwendungen & Verwendung
Verwenden
Prednisolone Tebutate is an anaesthetic corticosteroid.