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

HCID 43008CAS 59338-93-1

기본 정보

표준 SMILES
C=CCN1CCCC1CNC(=O)c1cc2n[nH]nc2cc1OC
InChIKey
KSEYRUGYKHXGFW-UHFFFAOYSA-N
분자식
C16H21N5O2
평균 분자량
315.37 g/mol
단동위원소 질량
315.16952491

개요

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.

이름 및 식별자

우선 이름
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

이름 및 동의어

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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP
1.5
극성 표면적
83.1 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
5
회전 가능 결합 수
6
무거운 원자 수
23

실험 및 물리화학적 성질

DrugsPharmaceuticals
LogP · 2건

1.79

2.22

Solubility4.95e-01 g/L
Melting Point139 °C
Physical DescriptionSolid

화학 및 산업

약리 정보

PharmacodynamicsAlizapride is a dopamine antagonist.
Mechanism of Action · 1건

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

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