Mespirenone
Grundinformationen
- CAS
87952-98-5- Standard-SMILES
CC(=O)S[C@@H]1CC2=CC(=O)C=C[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H]([C@@H]4C[C@@H]4[C@@]34CCC(=O)O4)[C@H]12- InChIKey
CPHJTSJQUQZOLJ-ISIDMKFXSA-N- Summenformel
- C25H30O4S
- Durchschnittliche Molmasse
- 426,6 g/mol
- Monoisotopische Masse
- 426,18648061
Überblick
Mespirenone is a small molecule drug. The usage of the INN stem '-renone' in the name indicates that Mespirenone is a mineralocorticoid receptor (MR, MCR, aldosterone receptor) antagonist. Mespirenone has a monoisotopic molecular weight of 426.19 Da.
Namen und Bezeichner
- Bevorzugter Name
- Mespirenone
- IUPAC
- S-[(1'R,2S,2'S,3'S,5'S,7'S,10'S,11'R,18'R)-7',11'-dimethyl-5,14'-dioxospiro[oxolane-2,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadeca-12,15-diene]-18'-yl] ethanethioate
- Englischer Name
- Mespirenone
- Summenformel
- C25H30O4S
- Molmasse
- 426.57
Namen und Synonyme
Mespirenone87952-98-5MespirenonaMespirenonumE91TME2I23DTXSID40868989RefChem:156684DTXCID401526897ZK-94 6797',11'-dimethyl-5,14'-dioxospiro(tetrahydrofuran-2,6'-pentacyclo(8.8.0.02,7.03,5.011,16)octadeca-12',15'-diene)-18-yl ethanethioate7alpha-acetylthio-15beta,16beta-methylene-3-oxo-17alpha-pregna-1,4-diene-21,17-carbolactoneMespirenone [INN]
Weitere Namen anzeigen
(7α,15α,16α,17α)-Mespirenone USP/EP/BP7alpha-Acetylthio-15beta,16beta-methylen-3-oxo-1,4-pregnadien-21,17beta-carbolacton(17S)-7α-(Acetylthio)-15α,16α-dihydro-17-hydroxy-3-oxo-3'H-cyclopropa[15,16]pregna-1,4,15-triene-21-carboxylic acid γ-lactone
S-[(1'R,2S,2'S,3'S,5'S,7'S,10'S,11'R,18'R)-7',11'-dimethyl-5,14'-dioxospiro[oxolane-2,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadeca-12,15-diene]-18'-yl] ethanethioateZK 94679Mespirenonum [Latin]Mespirenona [Spanish]UNII-E91TME2I23SCHEMBL637071orb1944824CHEMBL1908314
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,9
- Polarare Oberfläche (TPSA)
- 85,7 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 5
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 30
- Formalladung
- 0
- Komplexität
- 935
Physikochemische Eigenschaften
- Siedepunkt
- 614.253 · 614.253±55.00 °C(Press: 760.00 Torr)(predicted)
- Dichte
- 1.302 · 1.302±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
Chemie und Industrie
Anwendungen
VerwendenA new mineralocorticoid antagonist; has an inhibition effect on aldosterone-induced hypertension.
Anbieter10 Anbieter
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