Dicirenone
Grundinformationen
- CAS
41020-79-5- Standard-SMILES
CC(C)OC(=O)[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@]34CCC(=O)O4)[C@H]12- InChIKey
WUVPAYPBMZMHJO-IMNLCBETSA-N- Summenformel
- C26H36O5
- Durchschnittliche Molmasse
- 428,6 g/mol
- Monoisotopische Masse
- 428,25627424
Überblick
Dicirenone is a steroid lactone.
Namen und Bezeichner
- Bevorzugter Name
- Dicirenone
- IUPAC
- propan-2-yl (7R,8R,9S,10R,13S,14S,17R)-10,13-dimethyl-3,5'-dioxospiro[2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-17,2'-oxolane]-7-carboxylate
- Englischer Name
- Dicirenone
- Summenformel
- C26H36O5
- Molmasse
- 428.565
Namen und Synonyme
DICIRENONE41020-79-5DicirenonaDicirenonumDicirenonum [Latin]Dicirenona [Spanish]Dicirenone [USAN:INN]UNII-M8K306YKSXM8K306YKSXDicirenone (USAN)DICIRENONE [INN]DICIRENONE [USAN]
Weitere Namen anzeigen
SC 26304(17R)-17-Hydroxy-3-oxo-7α-(isopropyloxycarbonyl)pregn-4-ene-21-carboxylic acid γ-lactonePregn-4-ene-7,21-dicarboxylic acid, 17-hydroxy-3-oxo-, γ-lactone, 1-methylethyl ester, (7α,17α)-
Dicirenonum (Latin)17-Hydroxy-3-oxo-17alpha-pregn-4-ene-7alpha,21-dicarboxylic acid, gamma-lactone, isopropyl ester3-(3-Oxo-7alpha-carboxyisopropyl-17beta-hydroxy-4-androstene-17alpha yl)propionic acid gamma lactonePREGN-4-ENE-7,21-DICARBOXYLIC ACID, 17-HYDROXY-3-OXO-, .GAMMA.-LACTONE, 1-METHYLETHYL ESTER, (7.ALPHA.,17.ALPHA.)-Pregn-4-ene-7,21-dicarboxylic acid, 17-hydroxy-3-oxo-, gamma-lactone, 1-methylethyl ester, (7alpha,17alpha)-RefChem:13315717-HYDROXY-3-OXO-17.ALPHA.-PREGN-4-ENE-7.ALPHA.,21-DICARBOXYLIC ACID, .GAMMA.-LACTONE, ISOPROPYL ESTERpropan-2-yl (7R,8R,9S,10R,13S,14S,17R)-10,13-dimethyl-3,5'-dioxospiro[2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-17,2'-oxolane]-7-carboxylate
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,8
- Polarare Oberfläche (TPSA)
- 69,7 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 5
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 31
- Formalladung
- 0
- Komplexität
- 858
Physikochemische Eigenschaften
- Siedepunkt
- 579.3 · 579.3±50.0 °C(Predicted)
- Dichte
- 1.18 · 1.18±0.1 g/cm3(Predicted)
Chemie und Industrie
Anwendungen
VerwendenDicirenone is employed in the studies of the agonist and antimineralocorticoid activities of spirolactones.
Zugehörige Reaktionen
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