化工社化工社 化学情報印刷レポート · 研究参考用
アセタルソール
デベガン · ゴイル · オサルサル · オラシド · リマルソール · オラルサン · マラグリド · ストバルソール
識別子と物理属性
| CAS No. | 97-44-9 |
|---|---|
| 分子式 | C8H10AsNO5 |
| 平均分子量 | 275.09 g/mol |
| 単同位体質量 | 274.977492 g/mol |
| SMILES | CC(=O)Nc1cc([As](=O)(O)O)ccc1O |
| InChIKey | ODFJOVXVLFUVNQ-UHFFFAOYSA-N |
| PubChem CID | 1985 |
| ChEMBL | CHEMBL1330792 |
| ChEBI | CHEBI:135135 |
| EC No. | 202-582-3 |
| DTXSID | DTXSID9045847 |
| 現地名 | アセタルソール |
化学・物理的性質
| 極性表面積 | 107 |
|---|---|
| 水素結合供与体数 | 4 |
| 水素結合受容体数 | 5 |
| 回転可能結合数 | 2 |
| 重原子数 | 15 |
| 形式電荷 | 0 |
| 複雑度 | 289 |
| 溶解度 | Slightly soluble>41.3 [ug/mL] (The mean of the results at pH 7.4)DMSO (Slightly), Methanol (Slightly, Heated, Sonicated) |
| 融点 | 225-227 ºC220.5°C |
| Collision Cross Section | 151.5 Ų [M+H]+ [CCS Type: TWMethod: calibrated with polyalanine and drug standards]153.02 Ų [M+K]+ [CCS Type: TW |
| 沸点 | 72.17°C |
| 密度 | 1.0325 g/cm3(Temp: 15 °C) |
| 貯蔵条件 | Store at RT |
| 外観・状態 | 個体 |
| pKa（酸解離定数） | pKa 3.73 (H2O t=26) (Uncertain)7.9 (Uncertain)9.3(H2O) (Uncertain) |
| 色 | 結晶性物質 |
| Merck | 13,53 |
安全性と法規制
| GHS 分類 | DangerH228 (36.1%): Flammable solid [Danger Flammable solids]P210, P240, P241, P261, P264, P270, P271, P273, P280, P301+P316, P304+P340, P316, P321, P330, P370+P378, P391, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 61 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 規制情報 | Restricted substance: Acetarsol |
| その他の安全情報 | IMAP assessments - Arsonic acid, [3-(acetylamino)-4-hydroxyphenyl]-: Environment tier I assessment |
| Hazard Classes and Categories | Flam. Sol. 1 (36.1%) |
| Minimum Risk Level | Acute Oral: 0.005 mg/kg/day (L134) Chronic Oral: 0.0003 mg/kg/day (L134) Chronic Inhalation: 0.01 mg/m3 (L134) |
| Treatment | Arsenic poisoning can be treated by chelation therapy, using chelating agents such as dimercaprol, EDTA or DMSA. Charcoal tablets may also be used for less severe cases. In addition, maintaining a diet high in sulfur helps eliminate arsenic from the body. (L20) |
| 健康影響 | Arsenic poisoning can lead to death from multi-system organ failure, probably from necrotic cell death, not apoptosis. Arsenic is also a known carcinogen, esepcially in skin, liver, bladder and lung cancers. (T1, L20) |
| 暴露経路 | Oral (L2)inhalation (L2)dermal (L2) |
| 毒性の概要 | Arsenic and its metabolites disrupt ATP production through several mechanisms. At the level of the citric acid cycle, arsenic inhibits pyruvate dehydrogenase and by competing with phosphate it uncouples oxidative phosphorylation, thus inhibiting energy-linked reduction of NAD+, mitochondrial respiration, and ATP synthesis. Hydrogen peroxide production is also increased, which might form reactive oxygen species and oxidative stress. Arsenic's carginogenicity is influenced by the arsenical binding of tubulin, which results in aneuploidy, polyploidy and mitotic arrests. The binding of other arsenic protein targets may also cause altered DNA repair enzyme activity, altered DNA methylation patterns and cell proliferation. (T1, A17) |
| Signs and Symptoms | Exposure to lower levels of arsenic can cause nausea and vomiting, decreased production of red and white blood cells, abnormal heart rhythm, damage to blood vessels, and a sensation of |
用途
使用
antiprotozoal; diethylamine salt as antiphilitic
製法・合成法
純化方法
It crystallises from water in colourless prisms. It decomposes slowly on prolonged boiling in H2O or dilute alkalis. The N-propionyl derivative recrystallises from H2O with m 228-229o(dec). [Raiziss & Fisher J Am Chem Soc 48 1323 1926, Hewitt & King J Chem Soc 823 1926, Beilstein 16 I 491, 16 II 521, 16 III 1129.]