Pregna-1,4,16-triene-3,20-dione, 9-fluoro-11,21-dihydroxy-16-methyl-, (11beta)-
Grundinformationen
- CAS
59860-99-0- Standard-SMILES
CC1=C(C(=O)CO)[C@@]2(C)C[C@H](O)[C@@]3(F)[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]2C1- InChIKey
PSXDNQUHAFMVPT-QEYSUVLUSA-N- Summenformel
- C22H27FO4
- Durchschnittliche Molmasse
- 374,4 g/mol
- Monoisotopische Masse
- 374,1893375
Namen und Bezeichner
- Bevorzugter Name
- Pregna-1,4,16-triene-3,20-dione, 9-fluoro-11,21-dihydroxy-16-methyl-, (11beta)-
- IUPAC
- (8S,9R,10S,11S,13S,14S)-9-fluoro-11-hydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-7,8,11,12,14,15-hexahydro-6H-cyclopenta[a]phenanthren-3-one
- Englischer Name
- PSXDNQUHAFMVPT-NWQAGDSVSA-N
- Summenformel
- C22H27FO4
- Molmasse
- 374.45
Namen und Synonyme
59860-99-0MK8RHF5SQOPregna-1,4,16-triene-3,20-dione, 9-fluoro-11,21-dihydroxy-16-methyl-, (11beta)-(11b)-9-Fluoro-11,21-dihydroxy-16-methyl-pregna-1,4,16-triene-3,20-dione(11beta)-9-Fluoro-11,21-dihydroxy-16-methyl-pregna-1,4,16-triene-3,20-dione(8S,9R,10S,11S,13S,14S)-9-fluoro-11-hydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-7,8,11,12,14,15-hexahydro-6H-cyclopenta[a]phenanthren-3-oneDexamethasone Impurity 239-Fluoro-11beta,21-dihydroxy-16-methylpregna-1,4,16-triene-3,20-dione(8S,9R,10S,11S,13S,14S)-9-fluoro-11-hydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,9,10,11,12,13,14,15-decahydro-3H-cyclopenta[a]phenanthren-3-onePregna-1,4,16-triene-3,20-dione, 9-fluoro-11,21-dihydroxy-16-methyl-, (11ss)-; (11ss)-9-Fluoro-11,21-dihydroxy-16-methylpregna-1,4,16-triene-3,20-dione; 9-Fluoro-11ss,21-dihydroxy-16-methylpregna-1,4,16-triene-3,20-dione; 9-Fluoro-11beta,21-dihydroxy-16-methylpregna-1,4,16-triene-3,20-dione16delta-BetamethasoneUNII-MK8RHF5SQO
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Clobetasol Impurity
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,8
- Polarare Oberfläche (TPSA)
- 74,6 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 5
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 27
- Formalladung
- 0
- Komplexität
- 824
Physikochemische Eigenschaften
- Schmelzpunkt
- 197 °C · >197°C (dec)
- Siedepunkt
- 541.7 · 541.7±50.0 °C(Predicted)
- Dichte
- 1.28 · 1.28±0.1 g/cm3(Predicted)
- storage temp.
- -20 °C · -20°C Freezer
- Löslichkeit
- DMSO (Slightly), Methanol (Slightly), Ethyl Acetate (Slightly)
- Aggregatzustand
- Solid
- pka
- 12.99 · 12.99±0.10(Predicted)
- Farbe
- White to Pale Beige
Chemie und Industrie
Anwendungen
Verwenden(11β)-9-Fluoro-11,21-dihydroxy-16-methyl-pregna-1,4,16-triene-3,20-dione is a derivative of Dexamethasone (D298800), an anti-inflammatory glucocorticoid.
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