ジフェニル酢酸1,1-ジメチルピペリジニウム-4-イル

4-((2,2-Diphenylacetyl)oxy)-1,1-dimethylpiperidinium

HCID 1734CAS 81405-11-0

基本情報

標準SMILES: C[N+]1(C)CCC(OC(=O)C(c2ccccc2)c2ccccc2)CC1
InChIKey: HYJRTXSYDAFGJK-UHFFFAOYSA-N
分子式: C21H26NO2+
平均分子量: 324.4 g/mol
単同位体質量: 324.19580549

概要

4-DAMP(1+) is a quaternary ammonium salt obtained by formal methylation of the tertiary amino function of 4-diphenylacetoxy-N-methylpiperidine. It has a role as a cholinergic antagonist and a muscarinic antagonist.

名称と識別子

優先名称: 4-((2,2-Diphenylacetyl)oxy)-1,1-dimethylpiperidinium
IUPAC: (1,1-dimethylpiperidin-1-ium-4-yl) 2,2-diphenylacetate
現地名: ジフェニル酢酸1,1-ジメチルピペリジニウム-4-イル
英語名: 4-diphenylacetoxy-1,1-dimethylpiperidinium
分子式: C21H26NO2
分子量: 0

名称と別名

4-Diphenylacetoxy-1,1-dimethylpiperidinium81405-11-04-DAMP cationT2C393VHB9DTXSID702310861-dimethyl-4-diphenylacetoxypiperidinium4-((2,2-DIPHENYLACETYL)OXY)-1,1-DIMETHYLPIPERIDINIUMRefChem:911959DTXCID70153577[3H]4-DAMPCHEMBL168067106458-69-9

名称をさらに表示

1,1-ジメチル-4-(ジフェニルアセトキシ)ピペリジン-1-イウムジフェニル酢酸1,1-ジメチルピペリジニウム-4-イル4-(ジフェニルアセトキシ)-1,1-ジメチルピペリジン-1-イウム1,1-ジメチル-4-[(ジフェニルアセチル)オキシ]ピペリジニウム4-[(ジフェニルアセチル)オキシ]-1,1-ジメチルピペリジニウム4-(ジフェニルアセトキシ)-1,1-ジメチルピペリジニウム4-DAMP(1+)4-Damp methobromide4-(Diphenylacetoxy)-1,1-dimethylpiperidin-1-ium1,1-Dimethyl-4-(diphenylacetoxy)piperidin-1-iumDiphenylacetic acid 1,1-dimethylpiperidinium-4-yl ester

CHEMBL768972-p-cyanophenyl-1,3-dithiolane(1,1-dimethylpiperidin-1-ium-4-yl) 2,2-diphenylacetateTocris-0482Lopac-D-104UNII-T2C393VHB9Lopac0_000407GTPL307

データベース識別子

CAS: 81405-11-0
PubChem CID: 1734
DTXSID: DTXSID70231086
ChEMBL: CHEMBL168067
ChEBI: CHEBI:73467
UNII: T2C393VHB9
Nikkaji: J257.583C

物性

構造計算による物性

XLogP: 4
極性表面積: 26.3 Å²
水素結合供与体数: 0
水素結合受容体数: 2
回転可能結合数: 5
重原子数: 24
形式電荷: 1
複雑度: 380

化学と産業

薬理情報

MeSH Pharmacological Classification · 2 件

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.

補足説明

定義ChEBI: A quaternary ammonium salt obtained by formal methylation of the tertiary amino function of 4-diphenylacetoxy-N-methylpiperidine.