아세틸티오콜린염화물

Acetylthiocholine Chloride

HCID 22411CAS 6050-81-3

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CC(=O)SCC[N+](C)(C)C.[Cl-]
InChIKey: GZYVLKKMMDFCKR-UHFFFAOYSA-M
분자식: C7H16ClNOS
평균 분자량: 197.73 g/mol
단동위원소 질량: 197.06411281

이름 및 식별자

우선 이름: Acetylthiocholine Chloride
IUPAC: 2-acetylsulfanylethyl(trimethyl)azanium chloride
현지명: 아세틸티오콜린염화물
영어명: Acetylthiocholine chloride
분자식: C7H16ClNOS
분자량: 197.72

이름 및 동의어

Acetylthiocholine chloride6050-81-3EINECS 227-953-7AMMONIUM, (2-MERCAPTOETHYL)TRIMETHYL-, CHLORIDE, ACETATEs-Acetylthiocholine chlorideRefChem:109202GZYVLKKMMDFCKR-UHFFFAOYSA-M2-(Acetylthio)-N,N,N-trimethylethanaminium chloride[2-(acetylsulfanyl)ethyl]trimethylazanium chloride2-Acetylthioethyltrimethylammonium chlorideMFCD00038727(2-Mercaptoethyl)trimethylammonium chloride acetate

이름 더 보기

아세틸티오콜린염화물THIOCHOLINE CHLORIDE ACETATEACETYLTHIOCHOLINE CHLORIDE,99%-N,N,N-trimethylethanaminium chloride[2-(ACETYLTHIO)ETHYL]TRIMETHYLAMMONIUM CHLORIDE2-acetylsulfanylethyl(trimethyl)azanium chlorideN-[2-(Acetylthio)ethyl]trimethylaminium·chloride(2-acetylthio)-n,n,n-trimethylethanaminumchloride2-ethanoylsulfanylethyl(trimethyl)azanium chloride

C7H16ClNOSEthanaminium, 2-(acetylthio)-N,N,N-trimethyl-, chloride(2-Acetylthio)-N,N,N-trimethylethanaminum chloride2-acetylsulfanylethyl(trimethyl)azanium;chloride2-acetylsulfanylethyl(trimethyl)azanium,chlorideMLS001056723orb2940632SCHEMBL1276372

데이터베이스 식별자

CAS: 6050-81-3
PubChem CID: 22411
DTXSID: DTXSID90975910
ChEMBL: CHEMBL1256181
EC Number: 227-953-7

물성

구조 계산 물성

극성 표면적: 42.4 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 4
무거운 원자 수: 11
형식 전하: 0
복잡도: 117

실험 및 물리화학적 성질

Solubility29.4 [ug/mL] (The mean of the results at pH 7.4)

물리화학적 성질

녹는점: 199 · 199-201°C
저장 조건: -20 °C · -20°C
용해도: DMSO(약간 용해됨), 물(약간 용해됨, 가열, 초음파 처리)
물리적 상태: 가루
색상: 흰색에서 황백색까지
수용성: 100 mg/mL, · water: 100mg/mL, clear to slightly hazy, colorless
InChI: 1S/C7H16NOS.ClH/c1-7(9)10-6-5-8(2,3)4;/h5-6H2,1-4H3;1H/q+1;/p-1
InChIKey: GZYVLKKMMDFCKR-UHFFFAOYSA-M
SMILES: [Cl-].CC(=O)SCC[N+](C)(C)C

화학적 성질

white powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

P264+P265, P280, P305+P354+P338, and P317 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.

유해성 정보

Hazard Classes and CategoriesEye Dam. 1 (100%)

안전 데이터

wgk: 3
rtecs: BR6954000
HS 번호: 29309070
risk_code: 36/37/38-41
hazard_code: Xi
safety_code: 26-36-39
Hazard Classifications: Eye Dam. 1
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도Acetylthiocholine chloride has been used to determine the acetylcholine esterase activity of semen exosomes (SE). It has also been used as a substrate for acetylcholine esterase in microcalorimetric study of its kinetic parameters.

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]

陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]

Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

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