HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 5833Erstellt: 27. Oktober 2026
Spironolacton
Osyrol · Dira · Spirolactone · ALDACTONE · Spironolac · Abbolactone · 17-hydroxy-7alpha-mercapto-3-oxo-17alpha-pregn-4-ene-21-carboxylicacigamm · 7ALPHA-[ACETYLTHIO]-17ALPHA-HYDROXY-3-OXOPREGN-4-ENE-21-CARBOXYLIC ACID GAMMA-LACTONE
https://huagongshe.com/de/chemical/5833
Identifikatoren & physikalische Daten
| CAS No. | 52-01-7 |
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| Summenformel | C24H32O4S |
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| Durchschnittliche Molmasse | 416,6 g/mol |
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| Monoisotopische Masse | 416,20213067 g/mol |
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| SMILES | CC(=O)S[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 |
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| InChIKey | LXMSZDCAJNLERA-ZHYRCANASA-N |
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| PubChem CID | 5833 |
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| ChEMBL | CHEMBL1393 |
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| ChEBI | CHEBI:9241 |
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| EC No. | 200-133-6 |
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| DTXSID | DTXSID6034186 |
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| Lokaler Name | Spironolacton |
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Chemische & physikalische Eigenschaften
| XLogP | 2,9 |
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| Polarare Oberfläche (TPSA) | 85,7 |
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| H-Brücken-Donoren | 0 |
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| H-Brücken-Akzeptoren | 5 |
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| Frei drehbare Bindungen | 2 |
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| Schwere Atome | 29 |
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| Formalladung | 0 |
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| Komplexität | 818 |
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| Schmelzpunkt | 207-208 °C (lit.) |
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| Siedepunkt | 504.87°C (rough estimate) |
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| Dichte | 1.1061 (rough estimate) |
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| Brechungsindex | -36 ° (C=1, CHCl3) |
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| Lagerbedingungen | 2-8°C |
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| Löslichkeit | Practically insoluble in water, soluble in ethanol (96 per cent).practically insoluble |
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| Aggregatzustand | Powder |
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| Farbe | White to yellow-white |
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| Merck | 14,8760 |
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| Henry-Konstante | 9.0×104 mol/(m3Pa) at 25℃, HSDB (2015) |
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| BCS Class | 2,4,3 |
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| Hauptanwendungen | pharmaceutical (small molecule) |
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| InChIKey | LXMSZDCAJNLERA-ZHYRCANASA-N |
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| SMILES | CC(=O)S[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@]45CCC(=O)O5)[C@H]13 |
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| LogP (Verteilungskoeffizient) | 2.780 |
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| CAS Datenbank | 52-01-7(CAS DataBase Reference) |
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| NIST chemische Informationen | Spironolactone(52-01-7) |
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| EPA chemische Informationen | Spironolactone (52-01-7) |
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Sicherheit & Vorschriften
| Wassergefährdungsklasse (WGK) | 3 |
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| TSCA-Inventar-Status | TSCA listed |
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| Zollcode | 29321900 |
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| RTECS-Nr. | TU4725000 |
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| R-Sätze (R) | 60-40-36/37/38 |
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| Toxizität | LD50 in rats, mice, rabbits (mg/kg): 790, 360, 870 i.p. (IARC, 1980) |
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| Gefahrensymbole | T,Xn,Xi |
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| Sicherheitshinweise (S) | 53-22-36/37/39-45-36-26 |
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| Lagerklasse | 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects |
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| Gefahrstoffdaten | 52-01-7(Hazardous Substances Data) |
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| Gefahrenklasse | Carc. 2Repr. 1BSTOT RE 2 |
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Anwendungen & Verwendung
Verwenden
Spironolactone, an aldosterone-, and competitive androgen-receptor-antagonist and 5-alpharductase- inhibitor, indicated for the treatment of androgen dependent hirsutism, ideally in doses of 50 to 200 mg per day accompanying the intake of oral contraceptives with the same seven day break in between. Side effects concerning the length of the menstrual cycle, the increase of blood pressure or potassium levels may occur. Spironolactone is the number one drug in the treatment of hirsutism in the US (Farquhar et al., 2003). In other countries the prescription of spironolactone for the treatment of hirsutism may be off-label.
