Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
아세타손
아세타손 · ACETARSOL · vagisept · svc · 190f · f190 · goyl · mexyl
식별자 및 물리적 특성
| CAS No. | 97-44-9 |
|---|---|
| 분자식 | C8H10AsNO5 |
| 평균 분자량 | 275.09 g/mol |
| 단동위원소 질량 | 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 |
| 현지명 | 아세타손 |
화학 및 물리적 성질
| 극성 표면적 | 107 |
|---|---|
| 수소 결합 공여자 수 | 4 |
| 수소 결합 수용자 수 | 5 |
| 회전 가능 결합 수 | 2 |
| 무거운 원자 수 | 15 |
| 형식 전하 | 0 |
| 복잡도 | 289 |
| 용해도 | Slightly soluble>41.3 [ug/mL] (The mean of the results at pH 7.4)DMSO (약간 용해됨), 메탄올(약간 용해됨,가열, 초음파 처리) |
| 녹는점 | 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 |
| 끓는 점 | 72.17°C |
| 밀도 | 1.0325 g/cm3(Temp: 15 °C) |
| 저장 조건 | Store at RT |
| 물리적 상태 | 고체 |
| pKa(산도 계수) | pKa 3.73 (H2O t=26) (Uncertain)7.9 (Uncertain)9.3(H2O) (Uncertain) |
| 색상 | 결정질 물질 |
| Merck | 13,53 |
안전 및 규제
| GHS 분류 | 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. |
|---|---|
| 규제 정보 | Restricted substance: Acetarsol |
| 기타 안전 정보 | 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) |
| 건강 영향 | 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) |
| 노출 경로 | Oral (L2)inhalation (L2)dermal (L2) |
| 독성 요약 | 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 |
용도
용도
antiprotozoal; diethylamine salt as antiphilitic