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11β,17,21-Trihydroxypregna-1,4-dien-3,20-dion-21-(dihydrogenphosphat)
Prednisolone phosphate · PSLP · Prednisolone 21-phosphate · 11β,17-Dihydroxy-21-(phosphonooxy)pregna-1,4-diene-3,20-dione · 11β,17,21-Trihydroxypregna-1,4-diene-3,20-dione 21-phosphoric acid · Pregna-1,4-diene-3,20-dione, 11,17-dihydroxy-21-(phosphonooxy)-, (11β)- · 11β,17,21-trihydroxypregna-1,4-diene-3,20-dione 21-(dihydrogen phosphate) · 11beta,17,21-trihydroxypregna-1,4-diene-3,20-dione 21-(dihydrogen phosphate)
Identifikatoren & physikalische Daten
| CAS No. | 302-25-0 |
|---|---|
| Summenformel | C21H29O8P |
| Durchschnittliche Molmasse | 440,4 g/mol |
| Monoisotopische Masse | 440,16000488 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)COP(=O)(O)O |
| InChIKey | JDOZJEUDSLGTLU-VWUMJDOOSA-N |
| PubChem CID | 72078 |
| ChEMBL | CHEMBL1201231 |
| ChEBI | CHEBI:145705 |
| EC No. | 206-120-1 |
| DTXSID | DTXSID7047481 |
| Lokaler Name | 11β,17,21-Trihydroxypregna-1,4-dien-3,20-dion-21-(dihydrogenphosphat) |
Chemische & physikalische Eigenschaften
| XLogP | 0 |
|---|---|
| Polarare Oberfläche (TPSA) | 141 |
| H-Brücken-Donoren | 4 |
| H-Brücken-Akzeptoren | 8 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 30 |
| Formalladung | 0 |
| Komplexität | 889 |
| Endocrine Disruptors | Potential endocrine disrupting compound |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH360 (33.3%): 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 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | REACH registered substance: 11β,17,21-trihydroxypregna-1,4-diene-3,20-dione 21-(dihydrogen phosphate) (EC: 206-120-1) |
| Hazard Classes and Categories | Repr. 1B (33.3%) |
| Alarmwort | Achtung |
| Gefahrenhinweise | Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H360 |
Anwendungen & Verwendung
Verwenden
Glucocorticoid.