16beta-Methyl-3,20-dioxopregna-1,4,9(11)-triene-17,21-diyl dipropanoate
Grundinformationen
- CAS
52092-12-3- Standard-SMILES
CCC(=O)OCC(=O)[C@@]1(OC(=O)CC)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C3=CC[C@@]21C- InChIKey
KNGUDUPXAJGVDW-RILJZRPXSA-N- Summenformel
- C28H36O6
- Durchschnittliche Molmasse
- 468,6 g/mol
- Monoisotopische Masse
- 468,25118886
Namen und Bezeichner
- Bevorzugter Name
- 16beta-Methyl-3,20-dioxopregna-1,4,9(11)-triene-17,21-diyl dipropanoate
- IUPAC
- [2-oxo-2-[(8S,10S,13S,14S,16S,17R)-10,13,16-trimethyl-3-oxo-17-propanoyloxy-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-17-yl]ethyl] propanoate
- Englischer Name
- Beclomethasone Dipropionate Impurity
- Summenformel
- C28H36O6
- Molmasse
- 468.58
Namen und Synonyme
52092-12-3Beclomethasone dipropionate impurity I16beta-Methyl-3,20-dioxopregna-1,4,9(11)-triene-17,21-diyl dipropanoateUNII-P5563U2BR6P5563U2BR6Beclometasone Dipropionate EP Impurity I(16b)-16-Methyl-17,21-bis(1-oxopropoxy)pregna-1,4,9(11)-triene-3,20-dione(16beta)-16-Methyl-17,21-bis(1-oxopropoxy)pregna-1,4,9(11)-triene-3,20-dione[2-oxo-2-[(8S,10S,13S,14S,16S,17R)-10,13,16-trimethyl-3-oxo-17-propanoyloxy-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-17-yl]ethyl] propanoate(16beta)-16-Methyl-17,21-bis(1-oxopropoxy)-pregna-1,4,9(11)-triene-3,20-dione2-oxo-2-((8S,10S,13S,14S,16S,17R)-10,13,16-trimethyl-3-oxo-17-(propionyloxy)-6,7,8,10,12,13,14,15,16,17-decahydro-3H-cyclopenta[a]phenanthren-17-yl)ethyl propionateBeclomethasone Dipropionate EP Impurity I
Weitere Namen anzeigen
Beclometasone Impurity IBeclometasone Impurity 11KNGUDUPXAJGVDW-RILJZRPXSA-NBeclomethasone EP Impurity IBeclometasone Propionate EP Impurity I
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 4,2
- Polarare Oberfläche (TPSA)
- 86,7 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 6
- Frei drehbare Bindungen
- 8
- Schwere Atome
- 34
- Formalladung
- 0
- Komplexität
- 1.020
Physikochemische Eigenschaften
- Schmelzpunkt
- 73 °C · >73°C (dec.)
- Siedepunkt
- 584.9 · 584.9±50.0 °C(Predicted)
- Dichte
- 1.18 · 1.18±0.1 g/cm3(Predicted)
- storage temp.
- -20 °C · Hygroscopic, -20°C Freezer, Under inert atmosphere
- Löslichkeit
- Chloroform (Slightly), Methanol (Slightly)
- Aggregatzustand
- Solid
- Farbe
- Off-White
- Stabilität
- Hygroscopic
Chemie und Industrie
Anwendungen
Verwenden(16β)-16-Methyl-17,21-bis(1-oxopropoxy)pregna-1,4,9(11)-triene-3,20-dione is an impurity of Beclomethasone (B131000), a glucocorticoid. Used in chronic asthma and allergic rhinitis. Antiallergic, antiasthmatic (inhalant). Anti-inflammatory (topical).
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