Hydroxyeplerenone, 6beta-
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Grundinformationen
- CAS
209253-80-5- Standard-SMILES
COC(=O)[C@H]1[C@H]2[C@@H]3CC[C@@]4(CCC(=O)O4)[C@@]3(C)C[C@H]3O[C@@]23[C@@]2(C)CCC(=O)C=C2[C@@H]1O- InChIKey
DDHQRXOAZNEFKY-LRKJUHPMSA-N- Summenformel
- C24H30O7
- Durchschnittliche Molmasse
- 430,5 g/mol
- Monoisotopische Masse
- 430,19915329
Namen und Bezeichner
- Bevorzugter Name
- Hydroxyeplerenone, 6beta-
- IUPAC
- methyl (1R,2S,8R,9S,10R,11S,14R,15S,17R)-8-hydroxy-2,15-dimethyl-5,5'-dioxospiro[18-oxapentacyclo[8.8.0.01,17.02,7.011,15]octadec-6-ene-14,2'-oxolane]-9-carboxylate
- Englischer Name
- 6-B-HYDROXY EPLERENONE
- Summenformel
- C24H30O7
- Molmasse
- 430.49
Namen und Synonyme
209253-80-56beta-HydroxyeplerenoneHydroxyeplerenone, 6beta-V941WT74X6Pregn-4-ene-7,21-dicarboxylic acid, 9,11-epoxy-6,17-dihydroxy-3-oxo-, gamma-lactone, methyl ester, (6beta,7alpha,11alpha,17alpha)-RefChem:10870576beta-Hydroxy Eplerenone6|A-Hydroxy EplerenoneUNII-V941WT74X6Eplerenone 6-Beta-Hydroxy Analogmethyl (1R,2S,8R,9S,10R,11S,14R,15S,17R)-8-hydroxy-2,15-dimethyl-5,5'-dioxospiro[18-oxapentacyclo[8.8.0.01,17.02,7.011,15]octadec-6-ene-14,2'-oxolane]-9-carboxylate6?-Hydroxy Eplerenone
Weitere Namen anzeigen
6β-Hydroxy Eplerenone6--Hydroxy EplerenoneEplerenone Impurity 116-B-HYDROXY EPLERENONE6-beta-Hydroxy EplerenoneEplerenone 6-β-Hydroxy Analog(6β,7α,11α,17α)-9,11-Epoxy-6,17-dihydroxy-3-oxo-pregn-4-ene-7,21-dicarboxylic Acid γ-Lactone Methyl EsterPregn-4-ene-7,21-dicarboxylic acid, 9,11-epoxy-6,17-dihydroxy-3-oxo-, γ-lactone, methyl ester, (6β,7α,11α,17α)-Pregn-4-ene-7,21-dicarboxylic acid, 9,11-epoxy-6,17-dihydroxy-3-oxo-, γ-lactone, methyl ester, (6β,7α,11α,17α)-
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- 0,8
- Polarare Oberfläche (TPSA)
- 102 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 7
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 31
- Formalladung
- 0
- Komplexität
- 940
Physikochemische Eigenschaften
- Schmelzpunkt
- 128 · 128-135°C
- Siedepunkt
- 642.7 · 642.7±55.0 °C(Predicted)
- Dichte
- 1.37 · 1.37±0.1 g/cm3(Predicted)
- storage temp.
- -20 °C · -20°C Freezer
- Löslichkeit
- Chloroform (Slightly), Methanol (Slightly)
- pka
- 13.16 · 13.16±0.70(Predicted)
- Aggregatzustand
- Solid
- Farbe
- White to Off-White
Chemie und Industrie
Anwendungen
Beschreibung6β-hydroxy Eplerenone is a major metabolite of the mineralocorticoid receptor antagonist eplerenone . It is formed from eplerenone by the cytochrome P450 (CYP) isoform CYP3A4.
Verwenden6-B-HYDROXY EPLERENONE is a metabolite of Eplerenone, which is used alone or in combination with other medications to treat high blood pressure. 6-B-HYDROXY EPLERENONE is in a class of medications called mineralocorticoid receptor antagonists. It works by blocking the action of aldosterone, a natural substance in the body that raises blood pressure.
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