基本情報
- CAS
97-44-9- 標準SMILES
CC(=O)Nc1cc([As](=O)(O)O)ccc1O- InChIKey
ODFJOVXVLFUVNQ-UHFFFAOYSA-N- 分子式
- C8H10AsNO5
- 平均分子量
- 275.09 g/mol
- 単同位体質量
- 274.977492
概要
Acetarsol is an anilide and a member of acetamides.
名称と識別子
- 優先名称
- Acetarsol
- IUPAC
- (3-acetamido-4-hydroxyphenyl)arsonic acid
- 現地名
- アセタルソール
- 英語名
- ACETARSONE
- 分子式
- C8H10AsNO5
- 分子量
- 275.09
名称と別名
acetarsolAcetarsone97-44-9AcetphenarsineStovarsolAmarsanArsaphenAmoebalN-Acetyl-4-hydroxy-m-arsanilic acidDynarsanGynoplixKharophen
名称をさらに表示
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3-アセチルアミノ-4-ヒドロキシフェニルアルソン酸ジナルサンクハロフェン[3-(アセチルアミノ)-4-ヒドロキシフェニル]アルソン酸アルサフェンアマルサンアセトフェナルシンアセタルソルオサルソールアセタルソンアセタルソールギノプリックスvagiseptsvc190ff190goylamasanOracidAmassn
LimarsolMalagrideDeveganMexylDisparicidaGinarsolKubarsolMonargan
データベース識別子
- CAS
97-44-9
物性
構造計算による物性
- 極性表面積
- 107 Ų
- 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
実験および物理化学的性質
Solubility
Slightly soluble
>41.3 [ug/mL] (The mean of the results at pH 7.4)
Melting Point225-227 ºC
Collision Cross Section
151.5 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
153.02 Ų [M+K]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
物理化学的性質
- 融点
- 220.5 °C · 220.5°C
- 沸点
- 72.17 °C · 72.17°C
- 比重(密度)
- 1.0325 g/cm3 · 1.0325 g/cm3(Temp: 15 °C)
- 貯蔵温度
- Store at RT
- 溶解性
- DMSO (Slightly), Methanol (Slightly, Heated, Sonicated)
- 外見
- 個体
- 酸解離定数(Pka)
- 3.73 · pKa 3.73 (H2O t=26) (Uncertain);7.9 (Uncertain); 9.3(H2O) (Uncertain)
- 色
- 結晶性物質
- Merck
- 13 · 13,53
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
Danger
H228 (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.
危険有害性情報
Regulatory InformationRestricted substance: Acetarsol
Other Safety InformationIMAP assessments - Arsonic acid, [3-(acetylamino)-4-hydroxyphenyl]-: Environment tier I assessment
Hazard Classes and CategoriesFlam. Sol. 1 (36.1%)
安全と保護具
Minimum Risk LevelAcute Oral: 0.005 mg/kg/day (L134)
Chronic Oral: 0.0003 mg/kg/day (L134)
Chronic Inhalation: 0.01 mg/m3 (L134)
毒性情報
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)
Health EffectsArsenic 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)
化学と産業
薬理情報
ATC Code
G - Genito urinary system and sex hormones
P - Antiparasitic products, insecticides and repellents
A - Alimentary tract and metabolism
QA - Alimentary tract and metabolism
QG - Genito urinary system and sex hormones
QP - Antiparasitic products, insecticides and repellents
Protein BindingThis pharmacokinetic property was not addressed.
PharmacodynamicsSome reports indicate a certain infection remission with the use of acetarsol but this reports also demonstrate the absorption of systemic arsenic which can be physiologically dangerous.
Mechanism of Action
The mechanism of action of acetarsol is not well known but it is thought to bind to protein-containing sulfhydryl groups located in the infective microorganism and to form a lethal As-S bond. The formation of this bond impairs the protein to function and it eventually kills the microorganism.
Biological Half-LifeThis pharmacokinetic property was not addressed.
Metabolism/Metabolites
This pharmacokinetic property was not addressed.
Arsenic is absorbed mainly by inhalation or ingestion, as to a lesser extent, dermal exposure. It is then distributed throughout the body, where it is reduced into arsenite if necessary, then methylated into monomethylarsenic (MMA) and dimethylarsenic acid (DMA) by arsenite methyltransferase. Arsenic and its metabolites are primarily excreted in the urine. Arsenic is known to induce the metal-binding protein metallothionein, which decreases the toxic effects of arsenic and other metals by binding them and making them biologically inactive, as well as acting as an antioxidant. (L20)
MeSH Pharmacological ClassificationSubstances that prevent infectious agents or organisms from spreading or kill infectious agents in order to prevent the spread of infection.
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