6-Methoxy-N-[[1-(2-propen-1-yl)-2-pyrrolidinyl]methyl]-1H-benzotriazole-5-carboxamide

HCID 43008CAS 59338-93-1

基本情報

標準SMILES: C=CCN1CCCC1CNC(=O)c1cc2n[nH]nc2cc1OC
InChIKey: KSEYRUGYKHXGFW-UHFFFAOYSA-N
分子式: C16H21N5O2
平均分子量: 315.37 g/mol
単同位体質量: 315.16952491

概要

Alizapride is a dopamine antagonist that is capable of demonstrating both prokinetic and antiemetic effects. This kind of pharmacological activity makes it effective for use in the treatment of various kinds of nausea and vomiting, including that which may occur postoperatively.

名称と識別子

優先名称: 6-Methoxy-N-[[1-(2-propen-1-yl)-2-pyrrolidinyl]methyl]-1H-benzotriazole-5-carboxamide
IUPAC: 6-methoxy-N-[(1-prop-2-enylpyrrolidin-2-yl)methyl]-2H-benzotriazole-5-carboxamide

名称と別名

6-Methoxy-N-[[1-(2-propen-1-yl)-2-pyrrolidinyl]methyl]-1H-benzotriazole-5-carboxamideNausilexUNII-P55703ZRZYSCHEMBL48936orb1689218SCHEMBL1649436SCHEMBL30089955GTPL11141KSEYRUGYKHXGFW-UHFFFAOYSA-NHY-A0125EINECS 261-710-6BRN 6432438

名称をさらに表示

AC-22579DB-053369CS-0017442NS00009083T60813Q6318291H-Benzotriazole-5-carboxamide, 6-methoxy-N-((1-(2-propenyl)-2-pyrrolidinyl)methyl)-6-Methoxy-N-((1-(2-propenyl)-2-pyrrolidinyl)methyl)-1H-benzotriazole-5-carboxamide

データベース識別子

CAS: 59338-93-1
PubChem CID: 43008
DTXSID: DTXSID10866755
Nikkaji: J10.911H

物性

構造計算による物性

XLogP: 1.5
極性表面積: 83.1 Å²
水素結合供与体数: 2
水素結合受容体数: 5
回転可能結合数: 6
重原子数: 23
形式電荷: 0
複雑度: 433

実験および物理化学的性質

DrugsPharmaceuticals

LogP · 2 件

1.79

2.22

Solubility4.95e-01 g/L

Melting Point139 °C

Physical DescriptionSolid

化学と産業

薬理情報

PharmacodynamicsAlizapride is a dopamine antagonist.

Mechanism of Action · 1 件

The anti-emetic action of Alizapride is due to its antagonist activity at D2 receptors in the chemoreceptor trigger zone (CTZ) in the central nervous system (CNS)—this action prevents nausea and vomiting triggered by most stimuli. Structurally similar to metoclopramide and, therefore, shares similar other atributres related to emesis and prokinetics.

Biological Half-Life3 hours

Absorption, Distribution and Excretionrenal

Cellular LocationsMembrane