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Methacholine Chloride

HCID 6114
노트반응
기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
62-51-1
표준 SMILES
CC(=O)OC(C)C[N+](C)(C)C.[Cl-]
InChIKey
JHPHVAVFUYTVCL-UHFFFAOYSA-M
분자식
C8H18ClNO2
평균 분자량
195.69 g/mol
단동위원소 질량
195.1026065

개요

Methacholine chloride is a quaternary ammonium salt. It contains a methacholine.

이름 및 식별자

우선 이름
Methacholine Chloride
IUPAC
2-acetyloxypropyl(trimethyl)azanium chloride
영어명
METHACHOLINE CHLORIDE
분자식
C8H18ClNO2
분자량
195.69

이름 및 동의어

Methacholine chloride62-51-1ProvocholineAmecholCloruro de metacolinaChlorure de methacholineMetacolina cloruro1-Propanaminium, 2-(acetyloxy)-N,N,N-trimethyl-, chlorideMethacholini chloridumDTXSID70232710W5ETF9M2KMecholine
이름 더 보기
mecholylMethaclolineMECHOLYL CHLORIDEMecholine chloridemethylacetylcholineMethacoline chloridemethacholiniumchlorideMethacholineChloride>
Acetyl-2-methylcholine ChlorideNSC-757090DTXCID203271CHEBI:501422-acetyloxy-N,N,N-trimethylpropan-1-aminium chloride2-(Acetyloxy)-N,N,N-trimethyl-1-propanaminium ChlorideAcetyl-beta-methacholine ChlorideChloride, Methacholine

데이터베이스 식별자

CAS
62-51-1
PubChem CID
6114
DTXSID
DTXSID7023271
ChEMBL
CHEMBL1200764
ChEBI
CHEBI:50142
UNII
0W5ETF9M2K

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
12
형식 전하
0
복잡도
138

실험 및 물리화학적 성질

Solubility>29.4 [ug/mL] (The mean of the results at pH 7.4)
Human Drugs · 2건

FDA approved drugs -> Active ingredient

FDA approved drugs -> Active ingredient

Collision Cross Section134.8 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

물리화학적 성질

녹는점
171 · 171-173 °C(lit.)
밀도
1.1028 · 1.1028 (rough estimate)
굴절률
1.579 · 1.5790 (estimate)
저장 조건
-20 °C · -20°C
용해도
2 O: · H2O: 50 mg/mL, 투명, 무색
물리적 상태
가루
색상
흰색에서 거의 흰색
수소이온지수(pH)
3 · 3.0~7.0 (50g/l, 25℃)
수용성
거의 투명함
Merck
14 · 14,5940
BRN
4162373 · 4162373
안정성
불안정 - 습기에 민감함. 산화제와 호환되지 않습니다.
InChI
1S/C8H18NO2.ClH/c1-7(11-8(2)10)6-9(3,4)5;/h7H,6H2,1-5H3;1H/q+1;/p-1

안전 및 규제

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

GHS 분류

GHS Classification · 4건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

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

Aggregated GHS information provided per 55 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (100%)

안전 데이터

wgk
3
tsca
TSCA listed
rtecs
BR5250000
HS 번호
29239000
risk_code
22-36/37/38
hazard_code
Xn
safety_code
26-36
F 고인화성물질
3-10-21
Hazard Classifications
Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스
11 - Combustible Solids

화학 및 산업

약리 정보

FDA Pharmacological Classification · 4건

METHACHOLINE CHLORIDE

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

METHACHOLINE CHLORIDE INHALATION SOLUTION

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

MeSH Pharmacological Classification · 4건

Agents causing contraction of the pupil of the eye. Some sources use the term miotics only for the parasympathomimetics but any drug used to induce miosis is included here.

Drugs that mimic the effects of parasympathetic nervous system activity. Included here are drugs that directly stimulate muscarinic receptors and drugs that potentiate cholinergic activity, usually by slowing the breakdown of acetylcholine (CHOLINESTERASE INHIBITORS). Drugs that stimulate both sympathetic and parasympathetic postganglionic neurons (GANGLIONIC STIMULANTS) are not included here.

Agents causing the narrowing of the lumen of a bronchus or bronchiole.

Drugs that bind to and activate muscarinic cholinergic receptors (RECEPTORS, MUSCARINIC). Muscarinic agonists are most commonly used when it is desirable to increase smooth muscle tone, especially in the GI tract, urinary bladder and the eye. They may also be used to reduce heart rate.

용도 및 제조

General Manufacturing Information1-Propanaminium, 2-(acetyloxy)-N,N,N-trimethyl-, chloride (1:1): ACTIVE
응용 분야 · 2건

용도antihypertensive, antianginal

일반 설명Methacholine chloride occurs as colorless or white crystalsor as a white crystalline powder. It is odorless or has aslight odor and is very deliquescent. It is freely soluble inwater, alcohol, or chloroform, and its aqueous solution isneutral to litmus and bitter. It is hydrolyzed rapidly in alkalinesolutions. Solutions are relatively stable to heat and willkeep for at least 2 or 3 weeks when refrigerated to delaygrowth of molds.

관련 반응

0건
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화합물 노트

불러오는 중…

이 페이지에서기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
EC Number
200-537-2
InChIKey
JHPHVAVFUYTVCL-UHFFFAOYSA-M
SMILES
[Cl-].CC(C[N+](C)(C)C)OC(C)=O
LogP
-3.957 · -3.957 (est)
EPA
1 · 1-Propanaminium, 2-(acetyloxy)-N,N,N-trimethyl-, chloride (62-51-1)

화학적 성질

colourless to white crystalline powder with a slight

상·하류 제품 정보

상류 원료

에틸알코올무수초산트라이메틸아민(트리메틸아민)1-클로로-2-프로탄올디에틸에테르이소프로필알코올

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