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옥시페노늄

Oxyphenonium

HCID 5749
노트반응
기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
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기본 정보

CAS
1407-05-2
표준 SMILES
CC[N+](C)(CC)CCOC(=O)C(O)(c1ccccc1)C1CCCCC1
InChIKey
GFRUPHOKLBPHTQ-UHFFFAOYSA-N
분자식
C21H34NO3+
평균 분자량
348.5 g/mol
단동위원소 질량
348.25386895

개요

2-(2-cyclohexyl-2-hydroxy-1-oxo-2-phenylethoxy)ethyl-diethyl-methylammonium is an acylcholine.

이름 및 식별자

우선 이름
Oxyphenonium
IUPAC
2-(2-cyclohexyl-2-hydroxy-2-phenylacetyl)oxyethyl-diethyl-methylazanium
현지명
옥시페노늄
영어명
Oxyphenonium
분자식
C21H34NO3
분자량
348.5

이름 및 동의어

oxyphenoniumMethacinOxyphenonium ion14214-84-7Oxyphenonium cationD2G5508Y7IDTXSID80485712-((Cyclohexylhydroxyphenylacetyl)oxy)-N,N-diethyl-N-methylethanaminiumEthanaminium, 2-((cyclohexylhydroxyphenylacetyl)oxy)-N,N-diethyl-N-methyl-{2-[(2-cyclohexyl-2-hydroxy-2-phenylacetyl)oxy]ethyl}diethylmethylazanium(2-((2-cyclohexyl-2-hydroxy-2-phenylacetyl)oxy)ethyl)diethylmethylazaniumIodide, Oxyphenonium
이름 더 보기
옥시페노늄2-[Cyclohexyl(hydroxy)(phenyl)acetoxy]-N,N-diethyl-N-methylethanaminiumOxyphenonium free baseDiethylmethyl[2-(hydroxyphenylcyclohexylacetoxy)ethyl]aminiumEthanaminium, 2-[(2-cyclohexyl-2-hydroxy-2-phenylacetyl)oxy]-N,N-diethyl-N-methyl-
Chloride, OxyphenoniumRefChem:169070DTXCID9028203MetacinMethocidinOxiphenonum1407-05-22-(2-cyclohexyl-2-hydroxy-2-phenylacetyl)oxyethyl-diethyl-methylazanium

물성

구조 계산 물성

XLogP
4.1
극성 표면적
46.5 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
3
회전 가능 결합 수
9
무거운 원자 수
25
형식 전하
1
복잡도
409

실험 및 물리화학적 성질

LogP0.17
Solubility1.36e-04 g/L
Human DrugsPharmaceuticals
Melting Point191.5 °C
Physical DescriptionSolid
Collision Cross Section185.7 Ų [M]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

안전 및 규제

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

독성 정보

Drug Induced Liver Injury · 4건

Drug-Induced Liver Injury Severity and Toxicity (DILIst)

oxyphenonium

DILI Negative

DOI:10.1016/j.drudis.2019.09.022

화학 및 산업

약리 정보

ATC Code · 2건

A - Alimentary tract and metabolism

QA - Alimentary tract and metabolism

Protein Binding93% bound to albumin
Pharmacodynamics · 1건

Oxyphenonium is an anticholinergic drug, a medication that reduces the effect of acetylcholine, a chemical released from nerves that stimulates muscles, by blocking the receptors for acetylcholine on smooth muscle (a type of muscle). It also has a direct relaxing effect on smooth muscle. Oxyphenonium is used to treat or prevent spasm in the muscles of the gastrointestinal tract in the irritable bowel syndrome. In addition, Oxyphenonium inhibits gastrointestinal propulsive motility and decreases gastric acid secretion and controls excessive pharyngeal, tracheal and bronchial secretions.

Mechanism of ActionAction is achieved via a dual mechanism: (1) a specific anticholinergic effect (antimuscarinic) at the acetylcholine-receptor sites and (2) a direct effect upon smooth muscle (musculotropic).
MeSH Pharmacological Classification · 3건

Agents that dilate the pupil. They may be either sympathomimetics or parasympatholytics.

Agents that inhibit the actions of the parasympathetic nervous system. The major group of drugs used therapeutically for this purpose is the MUSCARINIC ANTAGONISTS.

Drugs that bind to but do not activate MUSCARINIC RECEPTORS, thereby blocking the actions of endogenous ACETYLCHOLINE or exogenous agonists. Muscarinic antagonists have widespread effects including actions on the iris and ciliary muscle of the eye, the heart and blood vessels, secretions of the respiratory tract, GI system, and salivary glands, GI motility, urinary bladder tone, and the central nervous system.

Cellular LocationsMembrane

용도 및 제조

Use ClassificationPharmaceuticals

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화합물 노트

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이 페이지에서기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트

데이터베이스 식별자

CAS
1407-05-2、14214-84-7、50-10-2
PubChem CID
5749
DTXSID
DTXSID8048571
ChEMBL
CHEMBL1201286
ChEBI
CHEBI:94329
UNII
D2G5508Y7I
EC Number
215-801-2
Nikkaji
J14.039B

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