Aldosterone
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
식별자 및 물리적 특성
| CAS No. | 52-39-1 |
|---|---|
| 분자식 | C21H28O5 |
| 평균 분자량 | 360.4 g/mol |
| 단동위원소 질량 | 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 |
화학 및 물리적 성질
| XLogP | 1.1 |
|---|---|
| 극성 표면적 | 91.7 |
| 수소 결합 공여자 수 | 2 |
| 수소 결합 수용자 수 | 5 |
| 회전 가능 결합 수 | 3 |
| 무거운 원자 수 | 26 |
| 형식 전하 | 0 |
| 복잡도 | 682 |
| 의약품 | Pharmaceuticals -> Listed in ZINC15Pharmaceuticals -> Steroids |
| 지질 | Lipids -> Sterol Lipids [ST] -> Steroids [ST02] -> C21 steroids (gluco/mineralocorticoids, progestogins) and derivatives [ST0203] |
| LogP(분배 계수) | 1.08 |
| 용해도 | 0.0512 mg/mL at 37 °C아세톤(약간 용해됨), 클로로포름(약간 용해됨), DMSO(약간 용해됨), 메탄올(약간 용해됨) |
| Endocrine Disruptors | Potential endocrine disrupting compound |
| 녹는점 | 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]+ |
| 끓는 점 | 412.46°C (rough estimate) |
| 밀도 | 1.28 |
| 굴절률 | 1.6120 (estimate) |
| 인화점 | 2℃ |
| 저장 조건 | Sealed in dry,Room Temperature |
| 물리적 상태 | 결정성 분말 |
| pKa(산도 계수) | 12.98±0.10(Predicted) |
| 색상 | 하얀색 |
| 용해도 | 51.18mg/L(37℃) |
| Merck | 13,224 |
| BRN | 3224996 |
| 주요 응용 | 임상 시험임상 시험 |
| 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 |
| EPA | Aldosterone (52-39-1) |
화학적 성질
White Solid
안전 및 규제
| 수질 위해 등급(WGK) | 3 |
|---|---|
| TSCA 등재 상태 | TSCA listed |
| RTECS 번호 | TU4523000 |
| 운송 번호(UN) | UN 1648 3 / PGII |
| 관세 코드 | 29372900 |
| 위험 문구(R) | 36/37/38-36-20/21/22-11 |
| 위험 표시 | Xi,Xn,F |
| 안전 문구(S) | 22-24/25-36-26-36/37-16 |
| F 고인화성물질 | 22-24-25 |
| 위험 등급 | Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Flam. Liq. 2 |
| 저장 분류 | 3 - Flammable liquids |
용도
개요
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.
용도
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.