rel-3,4-Dichloro-N-methyl-N-((1R,2R)-2-(1-pyrrolidinyl)cyclohexyl)benzeneacetamide
基本情報
- CAS
67198-17-8- 標準SMILES
CN(C(=O)Cc1ccc(Cl)c(Cl)c1)[C@@H]1CCCC[C@H]1N1CCCC1- InChIKey
VQLPLYSROCPWFF-QZTJIDSGSA-N- 分子式
- C19H26Cl2N2O
- 平均分子量
- 369.3 g/mol
概要
U50488 is a monocarboxylic acid amide obtained by formal condensation between the carboxy group of 3,4-dichlorophenylacetic acid and the secondary amino group of (1R,2R)-N-methyl-2-(pyrrolidin-1-yl)cyclohexanamine. It has a role as an analgesic, a diuretic, a calcium channel blocker, an antitussive and a kappa-opioid receptor agonist. It is a dichlorobenzene, a monocarboxylic acid amide and a N-alkylpyrrolidine.
名称と識別子
- 優先名称
- rel-3,4-Dichloro-N-methyl-N-((1R,2R)-2-(1-pyrrolidinyl)cyclohexyl)benzeneacetamide
- IUPAC
- 2-(3,4-dichlorophenyl)-N-methyl-N-[(1R,2R)-2-pyrrolidin-1-ylcyclohexyl]acetamide
- 英語名
- (+/-)-U-50488 Hydrochloride
- 分子式
- C19H26Cl2N2O
- 分子量
- 369.33
名称と別名
67198-13-4U50488U-50488U50,488U-50488HU 50488U-50,488U50488H39K8JHE8XNU 50,4882-(3,4-dichlorophenyl)-N-methyl-N-[(1R,2R)-2-pyrrolidin-1-ylcyclohexyl]acetamideDTXSID50849401
名称をさらに表示
(+)-U 50488(+/-)-U-50488 HydrochlorideBenzeneacetamide, 3,4-dichloro-N-methyl-N-[(1R,2R)-2-(1-pyrrolidinyl)cyclohexyl]-TRANS-(+/-)-3,4-DICHLORO-N-METHYL-N-[2-(1-PYRROLIDINYL)CYCLOHEXYL]BENZENEACETAMIDE HYDROCHLORIDE
CHEBI:733582-(3,4-dichlorophenyl)-N-methyl-N-[(1R,2R)-2-(pyrrolidin-1-yl)cyclohexyl]acetamideBenzeneacetamide, 3,4-dichloro-N-methyl-N-(2-(1-pyrrolidinyl)cyclohexyl)-, trans-2-(3,4-dichlorophenyl)-N-methyl-N-((1R,2R)-2-(pyrrolidin-1-yl)cyclohexyl)acetamide2-(3,4-dichlorophenyl)-N-methyl-N-((1R,2R)-2-pyrrolidin-1-ylcyclohexyl)acetamiderel-3,4-Dichloro-N-methyl-N-((1R,2R)-2-(1-pyrrolidinyl)cyclohexyl)benzeneacetamiderel-3,4-Dichloro-N-methyl-N-[(1R,2R)-2-(1-pyrrolidinyl)cyclohexyl]benzeneacetamideU 50,488H
データベース識別子
- CAS
物性
構造計算による物性
- XLogP
- 4.4
- 極性表面積
- 23.6 Ų
- 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
- 4
- 重原子数
- 24
- 形式電荷
- 0
- 複雑度
- 428
物理化学的性質
- 沸点
- 496.6 · 496.6±45.0 °C(Predicted)
- 比重(密度)
- 1.23 · 1.23±0.1 g/cm3(Predicted)
- 貯蔵温度
- Store at RT
- 酸解離定数(Pka)
- 9.21 · 9.21±0.20(Predicted)
化学と産業
薬理情報
MeSH Pharmacological Classification
Drugs used in the treatment of acute or chronic vascular HYPERTENSION regardless of pharmacological mechanism. Among the antihypertensive agents are DIURETICS; (especially DIURETICS, THIAZIDE); ADRENERGIC BETA-ANTAGONISTS; ADRENERGIC ALPHA-ANTAGONISTS; ANGIOTENSIN-CONVERTING ENZYME INHIBITORS; CALCIUM CHANNEL BLOCKERS; GANGLIONIC BLOCKERS; and VASODILATOR AGENTS.
A subclass of analgesic agents that typically do not bind to OPIOID RECEPTORS and are not addictive. Many non-narcotic analgesics are offered as NONPRESCRIPTION DRUGS.
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