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아세틸티오콜린요오드화물

Acetylthiocholine iodide

HCID 74629
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기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
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기본 정보

CAS
1866-15-5
표준 SMILES
CC(=O)SCC[N+](C)(C)C.[I-]
InChIKey
NTBLZMAMTZXLBP-UHFFFAOYSA-M
분자식
C7H16NOS.I
평균 분자량
289.18 g/mol
단동위원소 질량
288.99973

개요

structure in first source

이름 및 식별자

우선 이름
Acetylthiocholine iodide
IUPAC
2-acetylsulfanylethyl(trimethyl)azanium iodide
현지명
아세틸티오콜린요오드화물
영어명
Acetylthiocholine iodide
분자식
C7H16INOS
분자량
289.18

이름 및 동의어

Acetylthiocholine iodide1866-15-5S-Acetylthiocholine iodide2-Acetylthioethyltrimethylammonium iodide6SKH6P4YRNNSC-44139Ethanaminium, 2-(acetylthio)-N,N,N-trimethyl-, iodide (1:1)DTXSID50883764RefChem:109203DTXCID701023254217-474-1Acetylthiocholine diiodide
이름 더 보기
아세틸티오콜린요오드화물Acetylthiocholine ioacetylthiocholine iodieKamovsky-roots solutionIodine thioacetylcholineIodide thioacetylcholines-acetylthio-choliniodideacetylthiocholinediiodideacethylthiocholine iodide
Ethanaminium, 2-(acetylthio)-N,N,N-trimethyl-, iodideAcetylthiocholinjodid2-(Acetylthio)-N,N,N-trimethylethanaminium iodideMFCD000118192-(Acetylthio)-N,N,N-trimethylethan-1-aminium iodideNSC 44139Acetyl Thiobilineurine Iodide(2-Mercaptoethyl)trimethylammonium iodide acetate

데이터베이스 식별자

CAS
1866-15-5
PubChem CID
74629
DTXSID
DTXSID50883764
UNII
6SKH6P4YRN
EC Number
217-474-1

물성

구조 계산 물성

극성 표면적
42.4 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
3
회전 가능 결합 수
4
무거운 원자 수
11
형식 전하
0
복잡도
117

물리화학적 성질

녹는점
205 · 205-210 °C(lit.)
밀도
1.4885 · 1.4885 (estimate)
저장 조건
2 · 2-8°C
용해도
2 O: · H2O: 100 mg/mL
물리적 상태
가루
색상
하얀색
수용성
2 O: · H2O: 100mg/mL
BRN
3916578 · 3916578
InChI
InChI=1S/C7H16NOS.HI/c1-7(9)10-6-5-8(2,3)4;/h5-6H2,1-4H3;1H/q+1;/p-1
InChIKey
NTBLZMAMTZXLBP-UHFFFAOYSA-M
SMILES
[N+](C)(C)(C)CCSC(=O)C.[I-]
EPA
2 · Ethanaminium, 2-(acetylthio)-N,N,N-trimethyl-, iodide (1866-15-5)

화학적 성질

white crystalline powder

안전 및 규제

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

GHS 분류

GHS Classification · 4건

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 48 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 2건

Chemical: Ethanaminium, 2-(acetylthio)-N,N,N-trimethyl-, iodide

2-Acetylthioethyltrimethylammonium iodide: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesAcute Tox. 3 (100%)

안전 데이터

wgk
3
tsca
TSCA listed
rtecs
FZ9865000
ridadr
UN 2811 6.1/PG 3
HS 번호
2930909099
risk_code
21-25-36/37/38
hazard_code
T,Xi
safety_code
26-36
포장분류
III
위험 등급
6.1
F 고인화성물질
3-8-10
Hazard Classifications
Acute Tox. 3 DermalAcute Tox. 3 Oral
스토리지 클래스
6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects

화학 및 산업

용도 및 제조

General Manufacturing InformationEthanaminium, 2-(acetylthio)-N,N,N-trimethyl-, iodide (1:1): ACTIVE
응용 분야 · 2건

개요Acetylthiocholine iodide, also known as ATCI, serves as both an acetylcholinesterase (AChE) substrate and a nicotinic acetylcholine receptor (AChR) agonist. ATCI itself is a colorless and odorless compound. It exhibits solubility in both water and ethanol. It is a synthetic compound extensively employed in laboratory experiments to measure the activity of AChE, a vital enzyme responsible for the breakdown of the neurotransmitter acetylcholine (ACh) in the central and peripheral nervous systems. Additionally, it enables the evaluation of drug effects on AChE activity and facilitates investigations into the impact of toxins on the nervous system. Acetylthiocholine iodide functions as an inhibitor of AChE. By binding to the enzyme′s active site, it prevents AChE from catalyzing the breakdown of ACh. Consequently, ACh accumulates in the synaptic cleft, leading to increased neuron excitability. This inhibition of AChE by ATCI ultimately results in a higher ACh concentration within the synaptic cleft, yielding a range of physiological effects. These effects encompass heightened muscle contraction, increased heart rate and blood pressure, elevated salivation, intensified bronchial secretions, and augmented gastrointestinal activity[1].

용도Acetylthiocholine iodide has been used as a substrate in the preparation of acetylcholine esterase (AChE) assay working solution for AChE activity assay. It has also been used as a component in phosphate buffer (PB) for cholinesterase assay.

상·하류 제품 정보

상류 원료

무수초산아세톤2-Dimethylaminoethanethiol hydrochloride2-디메틸아미노에탄올디에틸에테르초산에틸염산중탄산나트륨(중조)디클로로메탄수산화나트륨염화 티오닐칼륨 티오아세트산요오드 메탄티오요소

관련 반응

2건
반응 기록 만들기
HRID 237192 반응식
HRID 237192반응물로uspto-grants-2014_02
HRID 1751195 반응식
HRID 1751195반응물로uspto-grants-2015_10

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