Dexamethasone 11,21-diacetate
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Grundinformationen
- CAS
3949-26-6- Standard-SMILES
CC(=O)OCC(=O)[C@@]1(O)[C@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](OC(C)=O)C[C@@]21C- InChIKey
GTECTIGXIMGLJQ-YIEQOVFOSA-N- Summenformel
- C26H33FO7
- Durchschnittliche Molmasse
- 476,5 g/mol
- Monoisotopische Masse
- 476,22103155
Namen und Bezeichner
- Bevorzugter Name
- Dexamethasone 11,21-diacetate
- IUPAC
- [2-[(8S,9R,10S,11S,13S,14S,16R,17R)-11-acetyloxy-9-fluoro-17-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate
- Englischer Name
- 9-Fluoro-11beta,17,21-trihydroxy-16alpha-methylpregna-1,4-diene-3,20-dione 11,21-diacetate
- Summenformel
- C26H33FO7
- Molmasse
- 476.54
Namen und Synonyme
Dexamethasone 11,21-diacetate3949-26-6Dexamethasone Acetate EP Impurity I6VQU5CHJ9BUNII-6VQU5CHJ9BDexamethasone acetate impurity I [EP][2-[(8S,9R,10S,11S,13S,14S,16R,17R)-11-acetyloxy-9-fluoro-17-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate2-((8S,9R,10S,11S,13S,14S,16R,17R)-11-Acetoxy-9-fluoro-17-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-17-yl)-2-oxoethyl acetatePregna-1,4-diene-3,20-dione, 11,21-bis(acetyloxy)-9-fluoro-17-hydroxy-16-methyl-, (11beta,16alpha)-Pregna-1,4-diene-3,20-dione, 9-fluoro-11beta,17,21-trihydroxy-16alpha-methyl-, 11,21-diacetateMedroxyprogesterone 17-acetate;MPAPregna-1,4-diene-3,20-dione, 11,21-bis(acetyloxy)-9-fluoro-17-hydroxy-16-methyl-, (11ss,16a)- (9CI); Pregna-1,4-diene-3,20-dione, 9-fluoro-11ss,17,21-trihydroxy-16a-methyl-, 11,21-diacetate (7CI,8CI); 9-Fluoro-17-hydroxy-16a-methyl-3,20-dioxopregna-1,4-diene-11ss,21-diyl Diacetate; Dexamethasone 11,21-Diacetate; Dexamethasone Acetate Impurity I
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- 3,3
- Polarare Oberfläche (TPSA)
- 107 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 8
- Frei drehbare Bindungen
- 6
- Schwere Atome
- 34
- Formalladung
- 0
- Komplexität
- 1.020
Physikochemische Eigenschaften
- Schmelzpunkt
- 257 · 257-264 °C
- Siedepunkt
- 583.4 · 583.4±50.0 °C(Predicted)
- Dichte
- 1.28 · 1.28±0.1 g/cm3(Predicted)
- Löslichkeit
- Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
- Aggregatzustand
- Solid
- pka
- 11.98 · 11.98±0.70(Predicted)
- Farbe
- Light Brown
- Stabilität
- Hygroscopic
Chemie und Industrie
Anwendungen
VerwendenDexamethasone 11,21-diacetate, is an impuriy of Dexamethasone (D298800), a glucocorticoid used as an anti-inflammatory agent. Dexamethasone regulates T cell survival, growth, and differentiation. Dexamethasone inhibits the induction of nitric oxide synthase.
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