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Methylprednisolon-21-acetat
methylprednisolone 21-acetate · Methylprednisolone EP Impurity J · u8210 · Mepred · NSC 48985 · Vetacortyl · 11-beta)-h · depo-medrone
Identifikatoren & physikalische Daten
| CAS No. | 53-36-1 |
|---|---|
| Summenformel | C24H32O6 |
| Durchschnittliche Molmasse | 416,5 g/mol |
| Monoisotopische Masse | 416,21988874 g/mol |
| SMILES | CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C |
| InChIKey | PLBHSZGDDKCEHR-LFYFAGGJSA-N |
| PubChem CID | 5877 |
| ChEMBL | CHEMBL1364144 |
| ChEBI | CHEBI:6889 |
| EC No. | 200-171-3 |
| DTXSID | DTXSID7023302 |
| Lokaler Name | Methylprednisolon-21-acetat |
Chemische & physikalische Eigenschaften
| XLogP | 2,7 |
|---|---|
| Polarare Oberfläche (TPSA) | 101 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 6 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 30 |
| Formalladung | 0 |
| Komplexität | 858 |
| Human Drugs | FDA approved drugs -> Active ingredient |
| Animal Drugs | Active Ingredients (Methylprednisolone Acetate) -> FDA Greenbook |
| Schmelzpunkt | 192-195°C |
| Siedepunkt | 454.82°C (rough estimate) |
| Dichte | 1.1156 (rough estimate) |
| Brechungsindex | 1.4593 (estimate) |
| Lagerbedingungen | Refrigerator |
| Löslichkeit | Practically insoluble in water, sparingly soluble in acetone and in ethanol (96 per cent). |
| pKa (Säurekonstante) | 12.41±0.70(Predicted) |
| Aggregatzustand | Solid |
| Farbe | White to Off-White |
| InChIKey | PLBHSZGDDKCEHR-OJNHZLOINA-N |
| SMILES | [C@@]12([H])C[C@@H](C3=CC(=O)C=C[C@]3(C)[C@@]1([H])[C@H](C[C@]1(C)[C@@](CC[C@@]21[H])(O)C(=O)COC(=O)C)O)C |&1:0,3,10,12,14,16,18,21,r| |
| CAS Datenbank | 53-36-1(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH360 (39.2%): May damage fertility or the unborn child [Danger Reproductive toxicity]P203, P260, P280, P318, P319, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 79 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Status: Active Update: 14-01-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/21151Methylprednisolone acetate: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right. |
| Weitere Sicherheitsinformationen | IMAP assessments - Pregna-1,4-diene-3,20-dione, 21-(acetyloxy)-11,17-dihydroxy-6-methyl-, (6.alpha.,11.beta.)-: Human health tier I assessment |
| Hazard Classes and Categories | Repr. 1B (39.2%) |
| Wassergefährdungsklasse (WGK) | WGK 3 |
| Zollcode | 32041200 |
| R-Sätze (R) | 63-62 |
| Toxizität | LD50 oral in rat: > 10gm/kg |
| Gefahrensymbole | Xn |
| Sicherheitshinweise (S) | 36/37-24/25 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Repr. 2 |
Anwendungen & Verwendung
Verwenden
Methylprednisolone acetate is used as a glucocorticoid.