기본 정보
- CAS
97-44-9- 표준 SMILES
CC(=O)Nc1cc([As](=O)(O)O)ccc1O- InChIKey
ODFJOVXVLFUVNQ-UHFFFAOYSA-N- 분자식
- C8H10AsNO5
- 평균 분자량
- 275.09 g/mol
- 단동위원소 질량
- 274.977492
개요
Acetarsol is an anilide and a member of acetamides.
이름 및 식별자
- 우선 이름
- Acetarsol
- IUPAC
- (3-acetamido-4-hydroxyphenyl)arsonic acid
- 현지명
- 아세타손
- 영어명
- ACETARSONE
- 분자식
- C8H10AsNO5
- 분자량
- 275.09
이름 및 동의어
acetarsolAcetarsone97-44-9AcetphenarsineStovarsolAmarsanArsaphenAmoebalN-Acetyl-4-hydroxy-m-arsanilic acidDynarsanGynoplixKharophen
이름 더 보기
아세타손vagiseptsvc190ff190goylamasanOracidAmassn
LimarsolMalagrideDeveganMexylDisparicidaGinarsolKubarsolMonargan
데이터베이스 식별자
- CAS
97-44-9- PubChem CID
- 1985
- DTXSID
DTXSID9045847- ChEMBL
CHEMBL1330792- ChEBI
CHEBI:135135- UNII
- 806529YU1N
- EC Number
- 202-582-3
- Nikkaji
- J1.495H
물성
구조 계산 물성
- 극성 표면적
- 107 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 15
- 형식 전하
- 0
- 복잡도
- 289
실험 및 물리화학적 성질
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]
물리화학적 성질
- 녹는점
- 220.5 °C · 220.5°C
- 끓는 점
- 72.17 °C · 72.17°C
- 밀도
- 1.0325 g/cm3 · 1.0325 g/cm3(Temp: 15 °C)
- 저장 조건
- Store at RT
- 용해도
- DMSO (약간 용해됨), 메탄올(약간 용해됨,가열, 초음파 처리)
- 물리적 상태
- 고체
- 산도 계수 (pKa)
- 3.73 · pKa 3.73 (H2O t=26) (Uncertain);7.9 (Uncertain); 9.3(H2O) (Uncertain)
- 색상
- 결정질 물질
- Merck
- 13 · 13,53
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
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.
유해성 정보
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%)
안전 및 보호
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)
독성 정보
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)
화학 및 산업
약리 정보
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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