11-Keto-16alpha-hydroxyprednisolone
Grundinformationen
- CAS
3754-05-0- Standard-SMILES
C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2C(=O)C[C@@]2(C)[C@H]1C[C@@H](O)[C@]2(O)C(=O)CO- InChIKey
QUDYJOZZUZDXCV-QLONCABFSA-N- Summenformel
- C21H26O6
- Durchschnittliche Molmasse
- 374,4 g/mol
- Monoisotopische Masse
- 374,17293854
Namen und Bezeichner
- Bevorzugter Name
- 11-Keto-16alpha-hydroxyprednisolone
- IUPAC
- (8S,9S,10R,13S,14S,16R,17S)-16,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthrene-3,11-dione
- Englischer Name
- 16α,17,21-Trihydroxy-pregna-1,4-diene-3,11,20-trione
- Summenformel
- C21H26O6
- Molmasse
- 374.43
Namen und Synonyme
3754-05-011-Keto-16alpha-hydroxyprednisoloneUNII-9UUI9HUO3Q9UUI9HUO3Q16a,17,21-Trihydroxy-pregna-1,4-diene-3,11,20-trione16alpha,17,21-Trihydroxy-pregna-1,4-diene-3,11,20-trione(8S,9S,10R,13S,14S,16R,17S)-16,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthrene-3,11-dionePregna-1,4-diene-3,11,20-trione, 16,17,21-trihydroxy-, (16alpha)-Budesonide Impurity N20DTXSID7085853016|A,17,21-Trihydroxy-pregna-1,4-diene-3,11,20-trione16|A-Hydroxy-11-keto prednisolone
Weitere Namen anzeigen
Budesonide Impurity 5116α-Hydroxy-11-keto prednisolone16α,17,21-Trihydroxy-pregna-1,4-diene-3,11,20-trionePregna-1,4-diene-3,11,20-trione, 16,17,21-trihydroxy-, (16α)-16α,17,21-Trihydroxy-pregna-1,4-diene-3,11,20-trione, CAS 3754-05-0(8S,10R,13S,14S,16R,17S)-16,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-7,8,9,10,12,13,14,15,16,17-decahydro-3H-cyclopenta[a]phenanthrene-3,11(6H)-dione
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1
- Polarare Oberfläche (TPSA)
- 112 Ų
- H-Brücken-Donoren
- 3
- H-Brücken-Akzeptoren
- 6
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 27
- Formalladung
- 0
- Komplexität
- 796
Physikochemische Eigenschaften
- Schmelzpunkt
- 225 °C · >225°C (dec.)
- Siedepunkt
- 594.8 · 594.8±50.0 °C(Predicted)
- Dichte
- 1.37 · 1.37±0.1 g/cm3(Predicted)
- storage temp.
- Refrigerator
- Löslichkeit
- DMSO (Slightly), Methanol (Slightly)
- Aggregatzustand
- Solid
- pka
- 11.83 · 11.83±0.70(Predicted)
- Farbe
- White to Off-White
Chemie und Industrie
Anwendungen
VerwendenA metabolite of Budesonide (B689490), an antiinflammatory agent.
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