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塩化 アセチルコリン

Acetylcholine Chloride

HCID 6060
ノート反応
基本情報概要名称と識別子物性安全と法規制化学と産業関連反応化合物ノート
部分構造検索類似構造を探す

基本情報

CAS
60-31-1
標準SMILES
CC(=O)OCC[N+](C)(C)C.[Cl-]
InChIKey
JUGOREOARAHOCO-UHFFFAOYSA-M
分子式
C7H16ClNO2
平均分子量
181.66 g/mol
単同位体質量
181.0869564

概要

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

名称と識別子

優先名称
Acetylcholine Chloride
IUPAC
2-acetyloxyethyl(trimethyl)azanium chloride
現地名
塩化 アセチルコリン
英語名
Acetylcholine chloride
分子式
C7H16ClNO2
分子量
181.66

名称と別名

ACETYLCHOLINE CHLORIDE60-31-1MiocholChloroacetylcholineOvisotACH chloride2-Acetoxyethyltrimethylammonium chlorideCholine acetate (ester) chlorideMIOCHOL-ECloruro de acetilcolinaChlorure d'acetylcholineEthanaminium, 2-(acetyloxy)-N,N,N-trimethyl-, chloride
名称をさらに表示
塩化 アセチルコリンオビソット(2-アセトキシエチル)トリメチルアミニウム·クロリドN-(2-アセトキシエチル)トリメチルアミニウム·クロリドアセチルコリン塩酸塩2-アセチルオキシ-N,N,N-トリメチルエタンアミニウム·クロリドアセチルコリンクロリドオビソートアセチルコリン塩化物2-(アセチルオキシ)-N,N,N-トリメチルエタンアミニウム·クロリドミオコール2-アセトキシエチルトリメチルアンモニウム·クロリドアセコリンアルテロコリンアセチルコリン·クロリド2-(アセチルオキシ)-N,N,N-トリメチルエタンアミニウム·塩酸塩塩化アセチルコリン2-アセトキシエチルトリメチルアミニウム·クロリド塩化アセチルコリン 塩化物塩化2-アセトキシエチルトリメチルアンモニウムACHtl1505acecholin

物性

構造計算による物性

極性表面積
26.3 Ų
水素結合供与体数
0
水素結合受容体数
3
回転可能結合数
4
重原子数
11
形式電荷
0
複雑度
115

実験および物理化学的性質

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

FDA approved drugs -> Active ingredient

FDA approved drugs -> Active ingredient

物理化学的性質

融点
146 · 146-150 °C (lit.)
比重(密度)
1.1235 · 1.1235 (rough estimate)
屈折率
1.556 · 1.5560 (estimate)
貯蔵温度
room temp
溶解性
2 O: · H2O: 0.1 g/mL 無色透明
外見
結晶性粉末
色
白い
由来生物
synthetic
水溶解度
冷水に溶ける
Merck
14 · 14,87
BRN
3571875 · 3571875
安定性
安定。避けるべき物質には、強力な酸化剤が含まれます。湿気から保護 - 湿気を簡単に吸収します。
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

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 · 4 件

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.

危険有害性情報

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%)

毒性情報

Drug Induced Liver Injury · 6 件

Drug Induced Liver Injury Rank (DILIrank 2.0)

Acetylcholine chloride

vNo-DILI-concern

0

No match

DOI:10.1016/j.drudis.2016.02.015

安全データ

F
3-8-10-21
wgk
2
tsca
TSCA listed
rtecs
FZ9800000
毒性
LD50 in mice, rats (mg/kg): 20, 22 i.v., 170, 250 s.c., 3000, 2500 i.p. (Molitor)
hs_code

化学と産業

薬理情報

FDA Pharmacological Classification · 4 件

ACETYLCHOLINE CHLORIDE

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

ACETYLCHOLINE CHLORIDE,

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

MeSH Pharmacological Classification · 2 件

Drugs used to cause dilation of the blood vessels.

Drugs that bind to and activate cholinergic receptors.

用途と製造

General Manufacturing InformationEthanaminium, 2-(acetyloxy)-N,N,N-trimethyl-, chloride (1:1): ACTIVE
応用分野 · 4 件

用途薬理研究用(副交感神経興奮作用)、神経伝達研究用。

説明Acetylcholine 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.

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

一般的な説明Acetylcholine 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.

関連反応

0 件
反応記録を作成

現在のフィルター条件では反応記録がありません。

化合物ノート

読み込み中…

このページの内容基本情報概要名称と識別子物性安全と法規制化学と産業関連反応化合物ノート
ACECOLINE
achchloride
arterocoline
ARTEROCHOLINE
Acetylcholine Cl
Acetilcolina cloruro(2-Hydroxyethyl)trimethylammonium chloride acetateAcetylcholini chloridumDTXSID5048978NSC-755845AF73293C2Racetylcholine chloride for injection2-acetyloxy-N,N,N-trimethylethanaminium chloride

データベース識別子

CAS
60-31-1
PubChem CID
6060
DTXSID
DTXSID5048978
ChEMBL
CHEMBL1184
ChEBI
CHEBI:2417
UNII
AF73293C2R
EC Number
200-468-8
LogP
-3.904 · -3.904 (est)
CAS データベース
60 · 60-31-1(CAS DataBase Reference)
EPAの化学物質情報
2 · Ethanaminium, 2-(acetyloxy)-N,N,N-trimethyl-, chloride (60-31-1)
化学的性質 · 1 件

化学的特性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.

29379000
risk_code
36/37/38
化審法
(9)-249, (9)-1504
hazard_code
Xi
safety_code
26-37/39-36
hazard_class
IRRITANT
ストレージクラス
11 - Combustible Solids
調製方法 · 1 件

純化方法It is very soluble in H2O (>10%), and is very hygroscopic. If pasty, dry it in a vacuum desiccator over H2SO4 until a solid residue is obtained. Dissolve this in absolute EtOH, filter it and add dry Et2O, when the hydrochloride separates. Collect by filtration and store it under very dry conditions. [Jones & Major J Am Chem Soc 52 307 1930.] The chloroplatinate crystallises from hot H2O in yellow needles and can be recrystallised from 50% EtOH, m 242-244o [Dudley Biochem J 23 1069 1929]; other m given is 256-257o. The perchlorate crystallises from EtOH as prisms m 116-117o. [J Am Pharm Assocn 36 272 1947, Beilstein 4 IV 1446.]

上流・下流製品情報

上流原料

エリスロマイシンエストレートエタノールアセチルクロリド2-クロロエタノールトリメチルアミン水溶液 3 0 %L-Tryptophan,N-[(1,1-dimethylethoxy)carbonyl]-L-tryptophyl-, methyl esterコリン クロリド

下流製品

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

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補足説明

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