Aldosteron
Reichstein · REICHSTEIN X · LECTROCORTIN · ALDOSTERONE(RG) · Aldosterone-[2,2,4,6,6,17,21,21-2H7] · 4-PREGNEN-11-BETA, 21-DIOL-3,18,20-TRIONE · μ100 97% (CP) · ALD ELISA
Identifikatoren & physikalische Daten
| CAS No. | 52-39-1 |
|---|---|
| Summenformel | C21H28O5 |
| Durchschnittliche Molmasse | 360,4 g/mol |
| Monoisotopische Masse | 360,193674 g/mol |
| SMILES | C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@]2(C=O)[C@@H](C(=O)CO)CC[C@@H]12 |
| InChIKey | PQSUYGKTWSAVDQ-ZVIOFETBSA-N |
| PubChem CID | 5839 |
| ChEMBL | CHEMBL273453 |
| ChEBI | CHEBI:27584 |
| EC No. | 200-139-9 |
| DTXSID | DTXSID7022419 |
| Lokaler Name | Aldosteron |
Chemische & physikalische Eigenschaften
| XLogP | 1,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 91,7 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 5 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 26 |
| Formalladung | 0 |
| Komplexität | 682 |
| Arzneimittel | Pharmaceuticals -> Listed in ZINC15Pharmaceuticals -> Steroids |
| Lipide | Lipids -> Sterol Lipids [ST] -> Steroids [ST02] -> C21 steroids (gluco/mineralocorticoids, progestogins) and derivatives [ST0203] |
| LogP (Verteilungskoeffizient) | 1.08 |
| Löslichkeit | 0.0512 mg/mL at 37 °CAcetone (Slightly), Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)51.18mg/L(37 ºC) |
| Endocrine Disruptors | Potential endocrine disrupting compound |
| Schmelzpunkt | 166.5 °C170-172°C |
| Physical Description | Solid |
| Collision Cross Section | 188.31 Ų [M-H]- [CCS Type: DTMethod: stepped-field]181.09 Ų [M-H]- [CCS Type: DTMethod: single field calibrated with Agilent tune mix (Agilent)]202.8 Ų [M+Na]+ |
| Siedepunkt | 412.46°C (rough estimate) |
| Dichte | 1.28 |
| Brechungsindex | 1.6120 (estimate) |
| Flammpunkt | 2℃ |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Aggregatzustand | Crystalline Powder |
| pKa (Säurekonstante) | 12.98±0.10(Predicted) |
| Farbe | White |
| Merck | 13,224 |
| BRN | 3224996 |
| Hauptanwendungen | clinical testingclinical testing |
| InChIKey | PQSUYGKTWSAVDQ-ZVIOFETBSA-N |
| SMILES | C[C@]12CCC(=O)C=C1CC[C@H]3[C@@H]4CC[C@H](C(=O)CO)[C@]4(C[C@H](O)[C@H]23)C=O |
| CAS Datenbank | 52-39-1(CAS DataBase Reference) |
| EPA chemische Informationen | Aldosterone (52-39-1) |
Sicherheit & Vorschriften
| F | 22-24-25 |
|---|---|
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 1648 3 / PGII |
| Zollcode | 29372900 |
| RTECS-Nr. | TU4523000 |
| R-Sätze (R) | 36/37/38-36-20/21/22-11 |
| Gefahrensymbole | Xi,Xn,F |
| Sicherheitshinweise (S) | 22-24/25-36-26-36/37-16 |
| Lagerklasse | 3 - Flammable liquids |
| Gefahrenklasse | Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Flam. Liq. 2 |
Anwendungen & Verwendung
Beschreibung
Aldosterone is a mineralocorticosteroid that takes part in the regulation of electrolytic balance in the organism. Aldosterone lowers excretion of sodium ions from the body, thus increasing their reabsorption and increasing secretion of potassium ions in renal tubules. Being a competitive antagonist of aldosterone, spironlactone blocks aldosterone receptors, thus increasing excretion of sodium, chloride, and corresponding equivalents of water with urine, thus retaining the amount of potassium ions in the organism. Spironolactone is used both individually as well as in combination with thiazides, since it lowers kaliuresis caused by thiazide diuretics.
Verwenden
Labelled Aldosterone. Aldosterone is an adrenocortical steroid which exerts regulatory influence on metabolism of electrolytes and water. Biologically active aldosterone isomer; a mineralocorticoid pr oduced by the adrenal cortex that induces urinary excretion of K+ and renal reabsorptioon of Na+. Exists as an equilibrium mixture of the aldehyde and the hemiacetal.