17,21-Dihydroxy-16beta-methylpregna-1,4-diene-3,20-dione
Grundinformationen
- CAS
18383-24-9- Standard-SMILES
C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3CC[C@]2(C)[C@@]1(O)C(=O)CO- InChIKey
OPANQAGTORONNC-OHIZPDRYSA-N- Summenformel
- C22H30O4
- Durchschnittliche Molmasse
- 358,5 g/mol
- Monoisotopische Masse
- 358,21440943
Namen und Bezeichner
- Bevorzugter Name
- 17,21-Dihydroxy-16beta-methylpregna-1,4-diene-3,20-dione
- IUPAC
- (8R,9S,10R,13S,14S,16S,17R)-17-hydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one
- Englischer Name
- Betamethasone EP Impurity J
- Summenformel
- C22H30O4
- Molmasse
- 358.47
Namen und Synonyme
18383-24-917,21-Dihydroxy-16beta-methylpregna-1,4-diene-3,20-dioneBetamethasone impurity J [EP]UNII-6909Q60UM06909Q60UM0DTXSID00171486Pregna-1,4-diene-3,20-dione, 17,21-dihydroxy-16-methyl-, (16beta)-BETAMETHASONE IMPURITY J [EP IMPURITY]17,21-DIHYDROXY-16.BETA.-METHYLPREGNA-1,4-DIENE-3,20-DIONEPREGNA-1,4-DIENE-3,20-DIONE, 17,21-DIHYDROXY-16-METHYL-, (16.BETA.)-BETAMETHASONE IMPURITY J (EP IMPURITY)Betamethasone impurity J
Weitere Namen anzeigen
9-Desfluoro-11-deoxy Betamethasone16β-Methyl-17α-Dihydroxypregna-1,4-diene-3,20-dione17,21-Dihydroxy-16b-methylpregna-1,4-diene-3,20-dioneBetamethasone Impurity 10（Betamethasone EP Impurity J）16β-Methyl-17α,21-Dihydroxypregna-1,4-diene-3,20-dione(16β)-17,21-Dihydroxy-16-methylpregna-1,4-diene-3,20-dionePregna-1,4-diene-3,20-dione, 17,21-dihydroxy-16-methyl-, (16β)-16β-Methyl-17α-Dihydroxypregna-1,4-diene-3,20-dione, CAS 18383-24-9
RefChem:79110DTXCID5093977Betamethasone EP Impurity J(8R,9S,10R,13S,14S,16S,17R)-17-hydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one(8R,9S,10R,13S,14S,16S,17R)-17-Hydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-3-oneorb3214980SCHEMBL11267812Q27264290
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,4
- Polarare Oberfläche (TPSA)
- 74,6 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 26
- Formalladung
- 0
- Komplexität
- 722
Physikochemische Eigenschaften
- Siedepunkt
- 530.9 · 530.9±50.0 °C(Predicted)
- Dichte
- 1.22 · 1.22±0.1 g/cm3(Predicted)
- pka
- 12.65 · 12.65±0.70(Predicted)
Chemie und Industrie
Anwendungen
Verwenden16β-Methyl-17α-Dihydroxypregna-1,4-diene-3,20-dione is an intermediate in the synthesis of 17,21-dihydroxy-16β-methylpregna-1,4-diene-3,20-dione (D434280), a corticoid with the potential for ant-iinflammatory activity.
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