(20R)-17,20,21-Trihydroxypregna-1,4-diene-3,11-dione
Grundinformationen
- CAS
600-92-0- Standard-SMILES
C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2C(=O)C[C@@]2(C)[C@H]1CC[C@]2(O)[C@H](O)CO- InChIKey
UMAIDVARGWSZLM-GNIMZFFESA-N- Summenformel
- C21H28O5
- Durchschnittliche Molmasse
- 360,4 g/mol
- Monoisotopische Masse
- 360,19367399
Überblick
20alpha-dihydroprednisone is a glucocorticoid, a 17alpha-hydroxy steroid, a 21-hydroxy steroid, a 20-hydroxy steroid, an 11-oxo steroid, a C21-steroid and a 3-oxo-Delta(1),Delta(4)-steroid. It has a role as a human urinary metabolite. It is functionally related to a prednisone.
Namen und Bezeichner
- Bevorzugter Name
- (20R)-17,20,21-Trihydroxypregna-1,4-diene-3,11-dione
- IUPAC
- (8S,9S,10R,13S,14S,17R)-17-[(1R)-1,2-dihydroxyethyl]-17-hydroxy-10,13-dimethyl-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthrene-3,11-dione
- Englischer Name
- 1,4-Pregnadien-17,20-beta, 21-triol-3,11-dione
- Summenformel
- C21H28O5
- Molmasse
- 360.44
Namen und Synonyme
600-92-020b-Hydroxy Prednisone20beta-Hydroxy Prednisone(20R)-17,20,21-Trihydroxypregna-1,4-diene-3,11-dione(8S,9S,10R,13S,14S,17R)-17-[(1R)-1,2-dihydroxyethyl]-17-hydroxy-10,13-dimethyl-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthrene-3,11-dione20alpha-Dihydroprednisone17,20,21-trihydroxypregna-1,4-diene-3,11-dione20?-Hydroxy Prednisone(20R)-hydroxyprednisone20alpha-dihydro-prednisone20(R)-Hydroxy PrednisoneDTXSID20857831
Weitere Namen anzeigen
20α-Dihydroprednisone20β-Dihydroprednisone20β-Hydroxy Prednisone20-BETA-DIHYDROPREDNISONEHydrocortisone Impurity 8120(R)-Hydroxy Prednisone-d420β-Hydroxy prednisone, CAS 600-92-01, 4-PREGNADIEN-17, 20β, 21-TRIOL-3, 11-DIONE
CHEBI:18296920alpha-Dihydro-prednisone (M-V)MSK10761FH24099(1R,3aS,3bS,9aR,9bS,11aS)-1-[(1R)-1,2-dihydroxyethyl]-1-hydroxy-9a,11a-dimethyl-2,3,3a,3b,4,5,9a,9b,11,11a-decahydro-1H-cyclopenta[a]phenanthrene-7,10-dione
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,2
- Polarare Oberfläche (TPSA)
- 94,8 Ų
- H-Brücken-Donoren
- 3
- H-Brücken-Akzeptoren
- 5
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 26
- Formalladung
- 0
- Komplexität
- 724
Experimentelle und physikochemische Eigenschaften
DrugsPharmaceuticals -> Metabolite of Prednisone, Prednisolone
Physikochemische Eigenschaften
- Schmelzpunkt
- 105 · 105-108°C
- storage temp.
- Hygroscopic, Refrigerator, under inert atmosphere
- Löslichkeit
- DMSO (Slightly), Dioxane (Slightly), Methanol (Slightly, Heated)
- Aggregatzustand
- Solid
- Farbe
- White to Off-White
- Stabilität
- Hygroscopic
Chemie und Industrie
Anwendungen
VerwendenPrednisone derivative.
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