20-Hydroxy methylprednisolone, (20R)-
Grundinformationen
- CAS
387-65-5- Standard-SMILES
C[C@H]1C[C@@H]2[C@H]([C@@H](O)C[C@@]3(C)[C@H]2CC[C@]3(O)[C@H](O)CO)[C@@]2(C)C=CC(=O)C=C12- InChIKey
GXALFBTWPDTDIR-BRBLPNDGSA-N- Summenformel
- C22H32O5
- Durchschnittliche Molmasse
- 376,5 g/mol
- Monoisotopische Masse
- 376,22497412
Namen und Bezeichner
- Bevorzugter Name
- 20-Hydroxy methylprednisolone, (20R)-
- IUPAC
- (6S,8S,9S,10R,11S,13S,14S,17R)-17-[(1R)-1,2-dihydroxyethyl]-11,17-dihydroxy-6,10,13-trimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one
- Englischer Name
- 20-Deoxo-20β-hydroxy-6α-Methyl Prednisolone
- Summenformel
- C22H32O5
- Molmasse
- 376.49
Namen und Synonyme
387-65-520-Hydroxy methylprednisolone, (20R)-Prednisolone Impurity 14UNII-S86E58B4X9S86E58B4X920-Hydroxy methylprednisolone, (20alpha)-20-Deoxo-20b-hydroxy-6a-Methyl Prednisolone11beta,17alpha,20alpha,21-Tetrahydroxy-6alpha-methylpregna-1,4-diene-3-onePregna-1,4-dien-3-one, 11,17,20,21-tetrahydroxy-6-methyl-, (6alpha,11beta,20R)-(6S,8S,9S,10R,11S,13S,14S,17R)-17-[(1R)-1,2-dihydroxyethyl]-11,17-dihydroxy-6,10,13-trimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one(6S,8S,9S,10R,11S,13S,14S,17R)-17-((R)-1,2-dihydroxyethyl)-11,17-dihydroxy-6,10,13-trimethyl-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-3-one20-Deoxo-20Beta-hydroxy-6Alpha-Methyl Prednisolone
Weitere Namen anzeigen
Prednisone Impurity 2920-Deoxo-20-hydroxy-6α-Methyl Prednisolone20-Deoxo-20β-hydroxy-6α-Methyl PrednisolonePregna-1,4-dien-3-one, 11,17,20,21-tetrahydroxy-6-methyl-, (6α,11β,20R)-
11ss,17a,20a,21-Tetrahydroxy-6a-methylpregna-1,4-diene-3-one11ss,17a,20ss,21-Tetrahydroxy-6a-methyl-pregna-1,4-dien-3-one;(20R)-20-hydroxy methylprednisolone20-HYDROXY METHYLPREDNISOLONE, (20.ALPHA.)-Q27289040Prednisone Impurity 29 (20(R)-Hydroxy Methylprednisolone)11.BETA.,17.ALPHA.,20.ALPHA.,21-TETRAHYDROXY-6.ALPHA.-METHYLPREGNA-1,4-DIENE-3-ONEPREGNA-1,4-DIEN-3-ONE, 11,17,20,21-TETRAHYDROXY-6-METHYL-, (6.ALPHA.,11.BETA.,20R)-
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,8
- Polarare Oberfläche (TPSA)
- 98 Ų
- H-Brücken-Donoren
- 4
- H-Brücken-Akzeptoren
- 5
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 27
- Formalladung
- 0
- Komplexität
- 713
Physikochemische Eigenschaften
- Schmelzpunkt
- 75 °C · >75°C (dec.)
- Siedepunkt
- 591.5 · 591.5±50.0 °C(Predicted)
- Dichte
- 1.28 · 1.28±0.1 g/cm3(Predicted)
- Löslichkeit
- Chloroform (Slightly), Methanol (Slightly)
- pka
- 14.04 · 14.04±0.70(Predicted)
- Aggregatzustand
- Solid
- Farbe
- White to Off-White
Chemie und Industrie
Anwendungen
Verwenden20-Deoxo-20β-hydroxy-6α-Methyl Prednisolone is an impurity of 6α-Methyl Prednisolone (M325930), a glucocorticoid which displays anti-inflamatory and antioxidant properties and attenuates apoptosis in oligodendrocytes after injury. 6α-Methyl Prednisolone is neuroprotective.
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