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Deflazacort
Deflazacor · oxaz · deflan · Cortax · l-5458 · calcort · azacort · MDL 458
Identifikatoren & physikalische Daten
| CAS No. | 14484-47-0 |
|---|---|
| Summenformel | C25H31NO6 |
| Durchschnittliche Molmasse | 441,5 g/mol |
| Monoisotopische Masse | 441,21513771 g/mol |
| SMILES | CC(=O)OCC(=O)[C@@]12N=C(C)O[C@@H]1C[C@H]1[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]12C |
| InChIKey | FBHSPRKOSMHSIF-GRMWVWQJSA-N |
| PubChem CID | 189821 |
| ChEMBL | CHEMBL1201891 |
| ChEBI | CHEBI:135720 |
| EC No. | 238-483-7 |
| DTXSID | DTXSID9020378 |
| Lokaler Name | Deflazacort |
Chemische & physikalische Eigenschaften
| XLogP | 2 |
|---|---|
| Polarare Oberfläche (TPSA) | 102 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 7 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 32 |
| Formalladung | 0 |
| Komplexität | 996 |
| Arzneimittel | Pharmaceuticals -> SteroidsPharmaceuticals -> Listed in ZINC15 |
| Human Drugs | Breast FeedingLactationCorticosteroids, SystemicGlucocorticoidsAnti-Inflammatory AgentsFDA approved drugs -> Active ingredient |
| Schmelzpunkt | >215 C255-256.5°C |
| Dissociation Constants | 5.52 |
| Collision Cross Section | 204.8 Ų [M+H]+ [CCS Type: DTBuffer gas: N2Ionization: ESI+Dataset: TOXCASTSource Identifier: DTXSID9020378] |
| Siedepunkt | 595.4±50.0 °C(Predicted) |
| Dichte | 1.41 |
| Lagerbedingungen | 2-8°C |
| Löslichkeit | DMSO: ≥20mg/mL |
| pKa (Säurekonstante) | 14.30±0.70(Predicted) |
| Aggregatzustand | powder |
| Farbe | white to tan |
| Merck | 14,2862 |
| InChIKey | FBHSPRKOSMHSIF-UBRVQRTASA-N |
| SMILES | C12(C(COC(C)=O)=O)[C@]3(C)C(C4C([C@H](C3)O)[C@]3(C)C(=CC(C=C3)=O)CC4)CC1OC(C)=N2 |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH360 (77.4%): 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 31 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Repr. 1A (77.4%) |
| Drug Induced Liver Injury | Drug Induced Liver Injury Rank (DILIrank 2.0)DeflazacortvNo-DILI-concernNo matchDOI:10.1016/j.drudis.2016.02.015 |
| Effects During Pregnancy and Lactation | ◉ Summary of Use during Lactation |
| EPA Human Health Benchmarks for Pharmaceuticals | Deflazacort1.77.1The recommended oral dosage of deflazacort is approximately 0.9 mg/kg/day once daily. (LDD calculated assuming 80 kg adult.)Data used to generate the benchmarks include the following: Lowest Daily Dose (LDD): 72 mg/day, Lowest Therapeutic Dose (LTD): 0.9 mg/kg-day, and Screening Dose: 0.0003 mg/kg-day.6-Oct-21 |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29349990 |
| RTECS-Nr. | TU4157050 |
| Toxizität | LD50 orally in mice: 5200 mg/kg (Schiatti) |
| Sicherheitshinweise (S) | 24/25 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Beschreibung
Deflazacort is an antiinflammatory treatment of rheumatoid arthritis. Its antirheumatic potency i s similar to that of prednisone, while its hyperglycernic and calcium depleting effects are reportedly less.
Verwenden
Deflazacort-d3, is the labeled analogue of Deflazacort (D228975), a systemic corticosteroid, and a derivative of prednisolone. Used for rheumatoid arthritis and lupus.