9β,11β-Epoxy-6α-fluor-21-hydroxy-16α,17-(isopropylidendioxy)pregna-1,4-dien-3,20-dion-21-acetat
9beta,11beta-Epoxy-6alpha-fluoro-21-hydroxy-16alpha,17-(isopropylidenedioxy)pregna-1,4-diene-3,20-dione 21-acetate
Grundinformationen
- CAS
6598-95-4- Standard-SMILES
CC(=O)OCC(=O)[C@@]12OC(C)(C)O[C@@H]1C[C@H]1[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]34O[C@H]4C[C@@]12C- InChIKey
MQQZOQZVFKAHJB-ANHKYHMRSA-N- Summenformel
- C26H31FO7
- Durchschnittliche Molmasse
- 474,5 g/mol
- Monoisotopische Masse
- 474,20538149
Namen und Bezeichner
- Bevorzugter Name
- 9beta,11beta-Epoxy-6alpha-fluoro-21-hydroxy-16alpha,17-(isopropylidenedioxy)pregna-1,4-diene-3,20-dione 21-acetate
- IUPAC
- [2-[(1S,3S,5S,6S,10R,12S,13S,15S,21S)-15-fluoro-5,8,8,21-tetramethyl-18-oxo-2,7,9-trioxahexacyclo[11.8.0.01,3.05,12.06,10.016,21]henicosa-16,19-dien-6-yl]-2-oxoethyl] acetate
- Lokaler Name
- 9β,11β-Epoxy-6α-fluor-21-hydroxy-16α,17-(isopropylidendioxy)pregna-1,4-dien-3,20-dion-21-acetat
- Englischer Name
- 9beta,11beta-epoxy-6alpha-fluoro-21-hydroxy-16alpha,17-(isopropylidenedioxy)pregna-1,4-diene-3,20-dione 21-acetate
- Summenformel
- C26H31FO7
- Molmasse
- 474.52
Namen und Synonyme
6598-95-4Fluocinonide Impurity 39beta,11beta-Epoxy-6alpha-fluoro-21-hydroxy-16alpha,17-(isopropylidenedioxy)pregna-1,4-diene-3,20-dione 21-acetate(6alpha,9beta,11beta,16alpha)-21-(Acetyloxy)-9,11-epoxy-6-fluoro-16,17-[(1-methylethylidene)bis(oxy)]pregna-1,4-diene-3,20-dione[2-[(1S,3S,5S,6S,10R,12S,13S,15S,21S)-15-Fluoro-5,8,8,21-tetramethyl-18-oxo-2,7,9-trioxahexacyclo[11.8.0.01,3.05,12.06,10.016,21]henicosa-16,19-dien-6-yl]-2-oxoethyl] acetate2-((2S,6aS,6bS,7aS,8aS,8bS,11aR,12aS,12bS)-2-fluoro-6a,8a,10,10-tetramethyl-4-oxo-1,2,4,6a,7a,8,8a,8b,11a,12,12a,12b-dodecahydronaphtho[2',1':4,5]oxireno[2',3':5,6]indeno[1,2-d][1,3]dioxol-8b-yl)-2-oxoethyl acetateEINECS 229-540-7DTXSID50984462Fluocinolone Acetonide Impurity N1H81530F571491"(6alpha,9beta,11beta,16alpha)-21-(Acetyloxy)-9,11-epoxy-6-fluoro-16,17-[(1-methylethylidene)bis(oxy)]pregna-1,4-diene-3,20-dione"
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,2
- Polarare Oberfläche (TPSA)
- 91,4 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 8
- Frei drehbare Bindungen
- 4
- Schwere Atome
- 34
- Formalladung
- 0
- Komplexität
- 1.080
Physikochemische Eigenschaften
- Siedepunkt
- 586.3 · 586.3±50.0 °C(Predicted)
- Dichte
- 1.34 · 1.34±0.1 g/cm3(Predicted)
Chemie und Industrie
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