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염화아세틸콜린

Acetylcholine Chloride

HCID 6060
노트반응
기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
60-31-1
표준 SMILES
CC(=O)OCC[N+](C)(C)C.[Cl-]
InChIKey
JUGOREOARAHOCO-UHFFFAOYSA-M
분자식
C7H16ClNO2
평균 분자량
181.66 g/mol
단동위원소 질량
181.0869564

개요

Acetylcholine chloride is the chloride salt of acetylcholine, and a parasympatomimetic drug. It contains an acetylcholine.

이름 및 식별자

우선 이름
Acetylcholine Chloride
IUPAC
2-acetyloxyethyl(trimethyl)azanium chloride
현지명
염화아세틸콜린
영어명
Acetylcholine chloride
분자식
C7H16ClNO2
분자량
181.66

이름 및 동의어

ACETYLCHOLINE CHLORIDE60-31-1MiocholChloroacetylcholineOvisotACH chloride2-Acetoxyethyltrimethylammonium chlorideCholine acetate (ester) chlorideMIOCHOL-ECloruro de acetilcolinaChlorure d'acetylcholineEthanaminium, 2-(acetyloxy)-N,N,N-trimethyl-, chloride
이름 더 보기
염화아세틸콜린아세틸콜린클로라이드ACHtl1505acecholinACECOLINEachchloridearterocolineARTEROCHOLINEAcetylcholine Cl
Acetilcolina cloruro(2-Hydroxyethyl)trimethylammonium chloride acetateAcetylcholini chloridumDTXSID5048978NSC-755845AF73293C2Racetylcholine chloride for injection2-acetyloxy-N,N,N-trimethylethanaminium chloride

데이터베이스 식별자

CAS
60-31-1
PubChem CID
6060
DTXSID
DTXSID5048978

물성

구조 계산 물성

극성 표면적
26.3 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
3
회전 가능 결합 수
4
무거운 원자 수
11
형식 전하
0
복잡도
115

실험 및 물리화학적 성질

Solubility>27.2 [ug/mL] (The mean of the results at pH 7.4)
Human Drugs · 2건

FDA approved drugs -> Active ingredient

FDA approved drugs -> Active ingredient

물리화학적 성질

녹는점
146 · 146-150 °C (lit.)
밀도
1.1235 · 1.1235 (rough estimate)
굴절률
1.556 · 1.5560 (estimate)
저장 조건
room temp
용해도
2 O: · H2O: 0.1 g/mL, 투명, 무색
물리적 상태
결정성 분말
색상
하얀색
생물학적 소스
synthetic
수용성
냉수에 용해됨
Merck
14 · 14,87
BRN
3571875 · 3571875
안정성
안정적인. 피해야 할 물질에는 강한 산화제가 포함됩니다. 습기로부터 보호하십시오. 흡습성이 매우 높습니다.
InChI
1S/C7H16NO2.ClH/c1-7(9)10-6-5-8(2,3)4;/h5-6H2,1-4H3;1H/q+1;/p-1
InChIKey
JUGOREOARAHOCO-UHFFFAOYSA-M
SMILES
[Cl-].CC(=O)OCC[N+](C)(C)C

안전 및 규제

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/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)

Aggregated GHS information provided per 161 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationEthanaminium, 2-(acetyloxy)-N,N,N-trimethyl-, chloride: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Ethanaminium, 2-(acetyloxy)-N,N,N-trimethyl-, chloride: Environment tier I assessment
Hazard Classes and CategoriesSkin Irrit. 2 (100%)

독성 정보

Drug Induced Liver Injury · 6건

Drug Induced Liver Injury Rank (DILIrank 2.0)

Acetylcholine chloride

vNo-DILI-concern

0

No match

DOI:10.1016/j.drudis.2016.02.015

안전 데이터

wgk
2
tsca
TSCA listed
rtecs
FZ9800000
독성
LD50 in mice, rats (mg/kg): 20, 22 i.v., 170, 250 s.c., 3000, 2500 i.p. (Molitor)
HS 번호
29379000

화학 및 산업

약리 정보

FDA Pharmacological Classification · 4건

ACETYLCHOLINE CHLORIDE

Cholinergic Agonists [MoA]; Cholinergic Receptor Agonist [EPC]

ACETYLCHOLINE CHLORIDE,

Cholinergic Agonists [MoA]; Cholinergic Receptor Agonist [EPC]

MeSH Pharmacological Classification · 2건

Drugs used to cause dilation of the blood vessels.

Drugs that bind to and activate cholinergic receptors.

용도 및 제조

General Manufacturing InformationEthanaminium, 2-(acetyloxy)-N,N,N-trimethyl-, chloride (1:1): ACTIVE
응용 분야 · 3건

개요Acetylcholine is a neurotransmitter that binds to nicotinic and muscarinic acetylcholine receptors (AChRs) in the central and peripheral nervous systems. It mediates motor function at the neuromuscular junction but also has functions in the parasympathetic and sympathetic nervous systems. It is involved in learning and memory through actions at nicotinic AChRs in the CNS. The actions of acetylcholine are terminated primarily via the action of acetylcholinesterase, which breaks it down into acetate and choline. Acetylcholine (chloride) mimics the effects of acetylcholine and has been used to determine the function of acetylcholine in various biological processes. Acetylcholine (chloride) inhibits peptide aggregation of p53 mutants in vitro at micromolar concentrations. It increases alveolar fluid clearance in a dose-dependent manner and enhances Na+/K+-ATPase activity, effects which are blocked by atropine , in a mouse model of pulmonary edema.

용도Acetylcholine Chloride is a cholinergic, antiarrhythmic, miotic, vasodilator (peripheral).

일반 설명Acetylcholine chloride exerts a powerfulstimulant effect on the parasympathetic nervous system.Attempts have been made to use it as a cholinergic agent,but its duration of action is too short for sustained effects,because of rapid hydrolysis by esterases and lack of specificitywhen administered for systemic effects. It is a cardiacdepressant and an effective vasodilator. Stimulation of thevagus and the parasympathetic nervous system produces atonic action on smooth muscle and induces a flow from thesalivary and lacrimal glands. Its cardiac-depressant effectresults from (a) a negative chronotropic effect that causes adecrease in heart rate and (b) a negative inotropic action onheart muscle that produces a decrease in the force of myocardialcontractions.

관련 반응

0건
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화합물 노트

불러오는 중…

이 페이지에서기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
ChEMBL
CHEMBL1184
ChEBI
CHEBI:2417
UNII
AF73293C2R
EC Number
200-468-8
LogP
-3.904 · -3.904 (est)
EPA
2 · Ethanaminium, 2-(acetyloxy)-N,N,N-trimethyl-, chloride (60-31-1)
화학적 성질 · 1건

A white or almost white crystalline powder, or colorless crystals, highly hygroscopic, with a faint ammoniacal odor and a very salty taste. Melting point: 149-152°C. The pH of a 10% aqueous solution is approximately 5, and the substance rapidly decomposes in hot water and alkaline solutions. It is highly soluble in water, ethanol, and propylene glycol; soluble in chloroform and acetic acid; and insoluble in ether. The product exhibits low toxicity, with an LD50 (oral, rat) of 2500 mg/kg.

risk_code
36/37/38
hazard_code
Xi
safety_code
26-37/39-36
위험 등급
IRRITANT
F 고인화성물질
3-8-10-21
스토리지 클래스
11 - Combustible Solids

상·하류 제품 정보

상류 원료

Erythromycin Estolate에틸알코올아세틸 염화물에틸렌 클로로히드린트라이메틸아민(트리메틸아민)L-Tryptophan,N-[(1,1-dimethylethoxy)carbonyl]-L-tryptophyl-, methyl ester염화콜린

하류 제품

Ethanaminium, 2-(acetyloxy)-N,N,N-trimethyl-, hydroxide (1:1)

공급사100 곳

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추가 설명

정의ChEBI: Acetylcholine chloride is the chloride salt of acetylcholine, and a parasympatomimetic drug. It contains an acetylcholine.