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Hydrocortison-21-(hydrogensuccinat)
HYDROCORTISONE HEMISUCCINATE · HYDROCORTISONE HYDROGEN SUCCINATE · HYDROCORTISONE SUCCINATE · Hydrocortisone hydrogen succinate CRS · C12888 · saxizon · RMA-279 · NSC 7576
Identifikatoren & physikalische Daten
| CAS No. | 2203-97-6 |
|---|---|
| Summenformel | C25H34O8 |
| Durchschnittliche Molmasse | 462,5 g/mol |
| Monoisotopische Masse | 462,22536804 g/mol |
| SMILES | C[C@]12CCC(=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 | VWQWXZAWFPZJDA-CGVGKPPMSA-N |
| PubChem CID | 16623 |
| ChEMBL | CHEMBL977 |
| ChEBI | CHEBI:31677 |
| EC No. | 218-612-3 |
| DTXSID | DTXSID40872905 |
| Lokaler Name | Hydrocortison-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 | 908 |
| Lipide | Lipids -> Sterol Lipids [ST] -> Steroids [ST02] -> C21 steroids (gluco/mineralocorticoids, progestogins) and derivatives [ST0203] |
| Endocrine Disruptors | Potential endocrine disrupting compound |
| Collision Cross Section | 212.4 Ų [M+H]+ [CCS Type: TWMethod: calibrated with polyalanine and drug standards] |
| Schmelzpunkt | 170~172℃ |
| Siedepunkt | 685.5±55.0 °C(Predicted) |
| Dichte | 1.33±0.1 g/cm3(Predicted) |
| Lagerbedingungen | −20°C |
| Löslichkeit | Practically insoluble in water, freely soluble in acetone and in anhydrous ethanol. It dissolves in dilute solutions of alkali carbonates and alkali hydroxides. |
| pKa (Säurekonstante) | pKa 5.10/5.64(20% aq EtOH/50% aq EtOH) (Uncertain) |
| Aggregatzustand | Solid |
| Farbe | White to Off-White |
| Hauptanwendungen | forensics and toxicologypharmaceutical (small molecule)veterinary |
| Kosmetik-Inhaltsstoffe Funktionen | SKIN CONDITIONING |
| InChIKey | VWQWXZAWFPZJDA-CGVGKPPMSA-N |
| SMILES | C[C@]12CCC(=O)C=C1CC[C@H]3[C@@H]4CC[C@](O)(C(=O)COC(=O)CCC(O)=O)[C@@]4(C)C[C@H](O)[C@H]23 |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 5% (2 of 40) of reports.DangerH360 (60%): 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 40 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | REACH registered substance: Hydrocortisone 21-(hydrogen succinate) (EC: 218-612-3) |
| Hazard Classes and Categories | Repr. 1A (60%) |
| Wassergefährdungsklasse (WGK) | 3 |
| RTECS-Nr. | TU5010147 |
| Sicherheitshinweise (S) | 22-24/25 |
| Lagerklasse | 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects |
| Gefahrenklasse | Repr. 1B |
Anwendungen & Verwendung
Verwenden
Hydrocortisone 21-hemisuccinate is a corticosteroid used as an analytical and chromatography reagent.