6alpha,9-Difluoro-11beta,21-dihydroxypregna-1,4,16-triene-3,20-dione 21-acetate
Grundinformationen
- CAS
2326-26-3- Standard-SMILES
CC(=O)OCC(=O)C1=CC[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C- InChIKey
YXASFOVLXBFEEU-LKVAYOKUSA-N- Summenformel
- C23H26F2O5
- Durchschnittliche Molmasse
- 420,4 g/mol
- Monoisotopische Masse
- 420,17483025
Namen und Bezeichner
- Bevorzugter Name
- 6alpha,9-Difluoro-11beta,21-dihydroxypregna-1,4,16-triene-3,20-dione 21-acetate
- IUPAC
- [2-[(6S,8S,9R,10S,11S,13S,14S)-6,9-difluoro-11-hydroxy-10,13-dimethyl-3-oxo-7,8,11,12,14,15-hexahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate
- Englischer Name
- 6alpha,9-difluoro-11beta,21-dihydroxypregna-1,4,16-triene-3,20-dione 21-acetate
- Summenformel
- C23H26F2O5
- Molmasse
- 420.45
Namen und Synonyme
2326-26-36alpha,9-Difluoro-11beta,21-dihydroxypregna-1,4,16-triene-3,20-dione 21-acetate6a,9-Difluoro-11b,21-dihydroxy-pregna-1,4,16-triene-3,20-dione[2-[(6S,8S,9R,10S,11S,13S,14S)-6,9-difluoro-11-hydroxy-10,13-dimethyl-3-oxo-7,8,11,12,14,15-hexahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetateDifluprednate Impurity 166alpha,9-Difluoro-11beta,21-dihydroxy-pregna-1,4,16-triene-3,20-dione2-((6S,8S,9R,10S,11S,13S,14S)-6,9-difluoro-11-hydroxy-10,13-dimethyl-3-oxo-6,7,8,9,10,11,12,13,14,15-decahydro-3H-cyclopenta[a]phenanthren-17-yl)-2-oxoethyl acetateEINECS 219-040-7(6alpha,11beta)-21-(Acetyloxy)-6,9-difluoro-11-hydroxy-pregna-1,4,16-triene-3,20-dioneYXASFOVLXBFEEU-LKVAYOKUSA-NDifluprednate Impurity 7B3QNX9A6DQ
Weitere Namen anzeigen
Fluocinonide dehydrate6α,9-Difluoro-11β,21-dihydroxy-pregna-1,4,16-triene-3,20-dione"6a,9-Difluoro-11,21-dihydroxy-pregna-1,4,16-triene-3,20-dione"
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,4
- Polarare Oberfläche (TPSA)
- 80,7 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 7
- Frei drehbare Bindungen
- 4
- Schwere Atome
- 30
- Formalladung
- 0
- Komplexität
- 921
Physikochemische Eigenschaften
- Schmelzpunkt
- 209 · 209-210 °C
- Siedepunkt
- 551.8 · 551.8±50.0 °C(Predicted)
- Dichte
- 1.32 · 1.32±0.1 g/cm3(Predicted)
- Löslichkeit
- soluble in DMSO, Methanol
- Aggregatzustand
- Solid
- pka
- 12.81 · 12.81±0.70(Predicted)
- Farbe
- Yellow to Brown
Chemie und Industrie
Anwendungen
Verwenden6alpha,9-difluoro-11beta,21-dihydroxypregna-1,4,16-triene-3,20-dione 21-acetate is used in the preparation of anti-inflammatory and antiallergic agents. A glucocorticoid.
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