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18-ヒドロキシコルチコステロン
18-ヒドロキシコルチコステロン · 11β,18,21-トリヒドロキシプレグナ-4-エン-3,20-ジオン · 18-ヒドロキシコルチコステロン 溶液 · (1S,3aS,3bS,9aR,9bS,10S,11aR)-10-ヒドロキシ-1-(2-ヒドロキシアセチル)-11a-(ヒドロキシメチル)-9a-メチル-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-シクロペンタ[a]フェナントレン-7-オン · 18-Hydroxycorticosterone-[2H4] · Hydroxycorticosterone · 18-Hydroxycorticosterone solution · 4-Pregnene-11β,18,21-triol-3,20-dione
識別子と物理属性
| CAS No. | 561-65-9 |
|---|---|
| 分子式 | C21H30O5 |
| 平均分子量 | 362.5 g/mol |
| 単同位体質量 | 362.20932405 g/mol |
| SMILES | C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@]2(CO)[C@@H](C(=O)CO)CC[C@@H]12 |
| InChIKey | HFSXHZZDNDGLQN-ZVIOFETBSA-N |
| PubChem CID | 11222 |
| ChEBI | CHEBI:16485 |
| EC No. | 209-221-9 |
| DTXSID | DTXSID80897516 |
| 現地名 | 18-ヒドロキシコルチコステロン |
化学・物理的性質
| XLogP | 0.7 |
|---|---|
| 極性表面積 | 94.8 |
| 水素結合供与体数 | 3 |
| 水素結合受容体数 | 5 |
| 回転可能結合数 | 3 |
| 重原子数 | 26 |
| 形式電荷 | 0 |
| 複雑度 | 655 |
| Physical Description | Solid |
| 沸点 | 577.8±50.0 °C(Predicted) |
| 密度 | 1.28±0.1 g/cm3(Predicted) |
| 引火点 | 2℃ |
| 貯蔵条件 | 2-8°C |
| 溶解度 | Soluble in DMSO |
| 外観・状態 | Solid |
| pKa（酸解離定数） | 12.98±0.10(Predicted) |
| 色 | White to off-white |
| BRN | 2631066 |
| 主な用途 | 臨床検査 |
| InChIKey | HFSXHZZDNDGLQN-ZVIOFETBSA-N |
| SMILES | O[C@@H]1[C@H]2[C@H]([C@H]4[C@@]([C@H](CC4)C(=O)CO)(C1)CO)CCC3=CC(=O)CC[C@@]32C |
安全性と法規制
| GHS 分類 | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%)Eye Irrit. 2 (100%)STOT SE 3 (100%) |
| 健康影響 | Chronically high levels of 18-hydroxycorticosterone are associated with at least 3 inborn errors of metabolism including: Adrenal hyperplasia type 5, Corticosterone methyl oxidase I deficiency and Corticosterone methyl oxidase II deficiency. |
| 毒性の概要 | 18-Hydroxycorticosterone is a derivative of corticosterone. It serves as an intermediate in the synthesis of aldosterone by the enzyme aldosterone synthase in the zona glomerulosa. (Wikipedia) 18-Hydroxycorticosterone (18OHB) has low affinity for the mineralocorticoid receptor and mainly originates from the conversion of corticosterone by the aldosterone synthase, although small amounts may be produced by the 11β-hydroxylase. Serum concentrations of 18OHB increase with increased aldosterone synthesis due to sodium depletion and angiotensin II infusion. (A15449) Accumulation of 18-hydroxycorticosterone in a given organ has been shown to be toxic for the body. |
| Carcinogen Classification | No indication of carcinogenicity to humans (not listed by IARC). |
| 水環境危害等級（WGK） | 3 |
| 輸送番号（UN） | UN 1648 3 / PGII |
| 危険等級 | Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Flam. Liq. 2 |
| 貯蔵分類 | 3 - Flammable liquids |
用途
使用
18-Hydroxycorticosterone is a derivative of Corticosterone. 18-Hydroxycorticosterone is used as an intermediate in the synthesis of Aldosterone (A514700).