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Dexamethason-21-isonicotinat
DEXAMETHASONE 21-ISONICOTINATE · Voren · he111 · auxilson · Auxiloson · ,21-isonicotinate · Desoximetasone Impurity 16 · DEXAMETHASONE ISONICOTINATE
Identifikatoren & physikalische Daten
| CAS No. | 2265-64-7 |
|---|---|
| Summenformel | C28H32FNO6 |
| Durchschnittliche Molmasse | 497,6 g/mol |
| Monoisotopische Masse | 497,2213659 g/mol |
| SMILES | C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COC(=O)c1ccncc1 |
| InChIKey | BQTXJHAJMDGOFI-NJLPOHDGSA-N |
| PubChem CID | 16752 |
| ChEMBL | CHEMBL3186453 |
| ChEBI | CHEBI:177639 |
| EC No. | 218-866-5 |
| DTXSID | DTXSID3057690 |
| Lokaler Name | Dexamethason-21-isonicotinat |
Chemische & physikalische Eigenschaften
| XLogP | 3,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 114 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 8 |
| Frei drehbare Bindungen | 5 |
| Schwere Atome | 36 |
| Formalladung | 0 |
| Komplexität | 1.040 |
| Endocrine Disruptors | Potential endocrine disrupting compound |
| Schmelzpunkt | 256°C |
| Siedepunkt | 676.0±55.0 °C(Predicted) |
| Dichte | 1.1972 (estimate) |
| Lagerbedingungen | 2-8°C |
| Löslichkeit | Practically insoluble in water, slightly soluble in anhydrous ethanol and in acetone. |
| pKa (Säurekonstante) | 11.92±0.70(Predicted) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302+H312+H332 (33.3%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oralacute toxicity, dermalacute toxicity, inhalation]P203, P260, P261, P263, P264, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P317, P318, P319, P321, P330, P362+P364, P391, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Dexamethasone isonicotinate: 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, 9-fluoro-11,17-dihydroxy-16-methyl-21-[(4-pyridinylcarbonyl)oxy]-, (11.beta.,16.alpha.)-: Human health tier I assessment |
| Hazard Classes and Categories | Repr. 1B (33.3%) |
| Alarmwort | Warnung |
| Gefahrenhinweise | Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H373 |
Anwendungen & Verwendung
Verwenden
Dexamethasone isonicotinate is an anti-inflammatory, anti-allergic glucocorticoid that can be administered orally, by inhalation, topically, and parenterally. Its unintended mineralocorticoid action may cause salt and water retention.