14-Fluoro-11beta,17,21-trihydroxy-16beta-methyl-8alpha,9beta,14beta-pregna-1,4-diene-3,20-dione
Grundinformationen
- CAS
185613-71-2- Standard-SMILES
C[C@H]1C[C@]2(F)[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@H]3[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO- InChIKey
OXYIPQGDQCLIAE-RNGLRLRGSA-N- Summenformel
- C22H29FO5
- Durchschnittliche Molmasse
- 392,5 g/mol
- Monoisotopische Masse
- 392,19990218
Namen und Bezeichner
- Bevorzugter Name
- 14-Fluoro-11beta,17,21-trihydroxy-16beta-methyl-8alpha,9beta,14beta-pregna-1,4-diene-3,20-dione
- IUPAC
- (8S,9R,10R,11S,13R,14S,16S,17R)-14-fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,9,11,12,15,16-octahydrocyclopenta[a]phenanthren-3-one
- Englischer Name
- Betamethasone EP Impurity H
- Summenformel
- C22H29FO5
- Molmasse
- 392.46
Namen und Synonyme
185613-71-2UNII-D5P9N1W189Betamethasone impurity H [EP]D5P9N1W18914-Fluoro-11beta,17,21-trihydroxy-16beta-methyl-8alpha,9beta,14beta-pregna-1,4-diene-3,20-dioneDTXSID70171796Pregna-1,4-diene-3,20-dione, 14-fluoro-11,17,21-trihydroxy-16-methyl-, (8alpha,9beta,11beta,14beta,16beta)-BETAMETHASONE IMPURITY H [EP IMPURITY]14-FLUORO-11.BETA.,17,21-TRIHYDROXY-16.BETA.-METHYL-8.ALPHA.,9.BETA.,14.BETA.-PREGNA-1,4-DIENE-3,20-DIONEPREGNA-1,4-DIENE-3,20-DIONE, 14-FLUORO-11,17,21-TRIHYDROXY-16-METHYL-, (8.ALPHA.,9.BETA.,11.BETA.,14.BETA.,16.BETA.)-BETAMETHASONE IMPURITY H (EP IMPURITY)Betamethasone impurity H
Weitere Namen anzeigen
9-Desfluoro-14-fluoro Betamethasone DISCONTINUEDBetamethasone Impurity 8（Betamethasone EP Impurity H）Pregna-1,4-diene-3,20-dione, 14-fluoro-11,17,21-trihydroxy-16-methyl-, (8α,9β,11β,14β,16β)- (9CI)(8S,9R,10R,11S,13R,14S,16S,17R)-14-Fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-3-one (Betamethasone Impurity)
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2
- Polarare Oberfläche (TPSA)
- 94,8 Ų
- H-Brücken-Donoren
- 3
- H-Brücken-Akzeptoren
- 6
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 28
- Formalladung
- 0
- Komplexität
- 805
Physikochemische Eigenschaften
- Siedepunkt
- 572.1 · 572.1±50.0 °C(Predicted)
- Dichte
- 1.32 · 1.32±0.1 g/cm3(Predicted)
- pka
- 11 · 11+-.0.70(Predicted)
Chemie und Industrie
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