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Prednisolon-21-(hydrogensuccinat)
PREDNISOLONE HEMISUCCINATE · PREDNISOLONE 21-HEMISUCCINATE · prednisolut · D02156 · prednisolonbisuccinat · PREDNISOLONE SUCCINATE · Prednisolone Impurity 4 · prednisolonebisuccinate
Identifikatoren & physikalische Daten
| CAS No. | 2920-86-7 |
|---|---|
| Summenformel | C25H32O8 |
| Durchschnittliche Molmasse | 460,5 g/mol |
| Monoisotopische Masse | 460,20971797 g/mol |
| SMILES | C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)O |
| InChIKey | APGDTXUMTIZLCJ-CGVGKPPMSA-N |
| PubChem CID | 656804 |
| ChEMBL | CHEMBL485659 |
| ChEBI | CHEBI:135745 |
| EC No. | 220-861-8 |
| DTXSID | DTXSID1048964 |
| Lokaler Name | Prednisolon-21-(hydrogensuccinat) |
Chemische & physikalische Eigenschaften
| XLogP | 1,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 138 |
| H-Brücken-Donoren | 3 |
| H-Brücken-Akzeptoren | 8 |
| Frei drehbare Bindungen | 7 |
| Schwere Atome | 33 |
| Formalladung | 0 |
| Komplexität | 950 |
| Collision Cross Section | 210.3 Ų [M+H]+ [CCS Type: TWMethod: calibrated with polyalanine and drug standards] |
| Schmelzpunkt | 206°C |
| Siedepunkt | 485.35°C (rough estimate) |
| Dichte | 1.1796 (rough estimate) |
| Brechungsindex | 1.4480 (estimate) |
| Lagerbedingungen | Refrigerator |
| Löslichkeit | DMSO (Slightly), Ethanol (Slightly), Methanol (Slightly) |
| pKa (Säurekonstante) | 4.29±0.17(Predicted) |
| Aggregatzustand | Solid |
| Farbe | White to Off-White |
| CAS Datenbank | 2920-86-7(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 3.4% (1 of 29) of reports.DangerH360 (86.2%): 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 29 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Repr. 1A (86.2%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 2937290000 |
| RTECS-Nr. | TU4153400 |
| R-Sätze (R) | 61-40 |
| Sicherheitshinweise (S) | 53-22-36/37/39-45 |
Anwendungen & Verwendung
Verwenden
neuroleptic