Grundinformationen
- Standard-SMILES
CC1CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1=O- InChIKey
IZLVPOBNINIXJM-UHFFFAOYSA-N- Summenformel
- C20H25FO3
- Durchschnittliche Molmasse
- 332,4 g/mol
Namen und Bezeichner
- Bevorzugter Name
- 9-Fluoro-11-hydroxy-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-3,17-dione
- IUPAC
- 9-fluoro-11-hydroxy-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-3,17-dione
- Englischer Name
- Betamethasone-17-ketone
- Summenformel
- C20H25FO3
- Molmasse
- 332.41
Namen und Synonyme
NSC50909Dexamethasone Impurity 54NSC52437AKOS0302416699-fluoro-11-hydroxy-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-3,17-dione9-fluoro-11-hydroxy-10,13,16-trimethyl-7,8,9,10,11,12,13,14,15,16-decahydro-3h-cyclopenta[a]phenanthrene-3,17(6h)-dione17-OxoβmethasoneBetamethasone-17-ketoneBetamethasone 17-Oxo ImpurityClobetasol Propionate Impurity 129α-Fluoro-11β-hydroxy-16β-Methyl-1,4-androstadiene-3,17-dione9-Fluoro-11beta-hydroxy-16beta-methylandrosta-1,4-diene-3,17-dione
Weitere Namen anzeigen
Betamethasone-17-ketone (9α-Fluoro-11β-hydroxy-16β-methylandrosta-1,4-diene-3,17-dione)Betamethasone-17-ketone (9alpha-Fluoro-11beta-hydroxy-16beta-methylandrosta-1,4-diene-3,17-dione)(8S,9R,10S,11S,13S,14S,16S)-9-fluoro-11-hydroxy-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-3,17-dione(8S,9R,10S,11S,13S,16S)-9-fluoro-11-hydroxy-10,13,16-trimethyl-7,8,9,10,11,12,13,14,15,16-decahydro-3H-cyclopenta[a]phenanthrene-3,17(6H)-dione
Datenbank-Bezeichner
- CAS
3109-01-1- PubChem CID
- 499992
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,4
- Polarare Oberfläche (TPSA)
- 54,4 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 24
- Formalladung
- 0
- Komplexität
- 695
Physikochemische Eigenschaften
- Schmelzpunkt
- 295 · 295-297°C
- Siedepunkt
- 478.785 · 478.785±45.00 °C(Press: 760.00 Torr)(predicted)
- Dichte
- 1.237 · 1.237±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- storage temp.
- Refrigerator
- Löslichkeit
- Chloroform (Slightly), Methanol (Slightly)
- Aggregatzustand
- Solid
- pka
- 13.233 · 13.233±0.70(predicted)
- Farbe
- White to Off-White
Sicherheit und Regulatorisches
Sicherheitsdaten
- hs_code
- 9999999999
Chemie und Industrie
Anwendungen
VerwendenA metabolite of Betamethasone.
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