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Itopride

HCID 3792
노트반응
기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
122898-67-3
표준 SMILES
COc1ccc(C(=O)NCc2ccc(OCCN(C)C)cc2)cc1OC
InChIKey
QQQIECGTIMUVDS-UHFFFAOYSA-N
분자식
C20H26N2O4
평균 분자량
358.4 g/mol
단동위원소 질량
358.18925731

개요

N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-3,4-dimethoxybenzamide is a member of benzamides.

이름 및 식별자

우선 이름
Itopride
IUPAC
N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-3,4-dimethoxybenzamide
영어명
Itopride
분자식
C20H26N2O4
분자량
358.43

이름 및 동의어

Itopride122898-67-3ItaxitopridaN-({4-[2-(dimethylamino)ethoxy]phenyl}methyl)-3,4-dimethoxybenzamide81BMQ80QRLN-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-3,4-dimethoxybenzamideNSC-759643DTXSID7048320N-(p-(2-(Dimethylamino)ethoxy)benzyl)veratramideN-(p-(2-(dimethylamino)ethoxy)benzyl)veratramide hydrochlorideitopridum
이름 더 보기
EtoprideItopride BaseItopride USP/EP/BPN-(4-(2-(Dimethylamino)Itopride Powder USP StandardITOPRIDE HYDROCHLORIDE 98-102%N-[[4-(2-dimethylaminoethoxy)phenyl]methyl]-33,4-Dimethoxy-N-[4-[2-(dimethylamino)ethoxy]benzyl]benzamide
N-((4-(2-(dimethylamino)ethoxy)phenyl)methyl)-3,4-dimethoxybenzamideRefChem:150204DTXCID5028295N-(4-(2-(Dimethylamino)ethoxy)benzyl)-3,4-dimethoxybenzamideItopride [INN]Itopride (INN)n-{4-[2-(dimethylamino)ethoxy]benzyl}-3,4-dimethoxybenzamideItopride free base

데이터베이스 식별자

CAS
122898-67-3

물성

구조 계산 물성

XLogP
2.3
극성 표면적
60 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
5
회전 가능 결합 수
9
무거운 원자 수
26
형식 전하
0
복잡도
411

실험 및 물리화학적 성질

DrugsPharmaceuticals -> Listed in ZINC15
Endocrine DisruptorsPotential endocrine disrupting compound

물리화학적 성질

녹는점
111 · 111-112°
끓는 점
510.1 · 510.1±50.0 °C(Predicted)
밀도
1.122 · 1.122±0.06 g/cm3(Predicted)
저장 조건
2 · 2-8°C
산도 계수 (pKa)
13.98 · 13.98±0.46(Predicted)

안전 및 규제

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

GHS 분류

GHS Classification · 4건

Warning

H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]

P273, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.

유해성 정보

Hazard Classes and CategoriesAquatic Acute 1 (100%)

독성 정보

Drug Induced Liver Injury · 4건

Drug-Induced Liver Injury Severity and Toxicity (DILIst)

Itopride

DILI Positive

DOI:10.1016/j.drudis.2019.09.022

안전 데이터

신호 어
Warning
유해·위험 문구
암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H400

화학 및 산업

약리 정보

ATC Code · 2건

A - Alimentary tract and metabolism

QA - Alimentary tract and metabolism

Mechanism of Action · 1건

Itopride has anticholinesterase (AchE) activity as well as dopamine D2 receptor antagonistic activity. It is well established that M3 receptors exist on the smooth muscle layer throughout the gut and acetylcholine (ACh) released from enteric nerve endings stimulates the contraction of smooth muscle through M3 receptors. The enzyme AChE hydrolyses the released ACh, inactivates it and thus inhibits the gastric motility leading to various digestive disorders. Besides ACh, dopamine is present in significant amounts in the gastrointestinal tract and has several inhibitory effects on gastrointestinal motility, including reduction of lower esophageal sphincter and intragastric pressure. These effects appear to result from suppression of ACh release from the myenteric motor neurons and are mediated by the D2 subtype of dopamine receptors. Itopride, by virtue of its dopamine D2 receptor antagonism, removes the inhibitory effects on Ach release. It also inhibits the enzyme AchE which prevents the degradation of ACh. The net effect is an increase in ACh concentration, which in turn, promotes gastric motility, increases the lower esophageal sphincter pressure, accelerates gastric emptying and improves gastro-duodenal coordination. This dual mode of action of Itopride is unique and different from the actions of other prokinetic agents available in the market.

Metabolism/MetabolitesFlavin-containing monooxygenase (FMO) is involved in N-oxygenation, the major metabolic pathway of itopride (PMID: 10997945).

응용 분야

용도dyspepsia therapy

상·하류 제품 정보

상류 원료

4-[2-(디메틸아미노)에톡시]벤질아민3,4-DIMETHOXYBENZOYL CHLORIDE

관련 반응

2건
반응 기록 만들기
HRID 703528 반응식
HRID 703528생성물로uspto-grants-1991_01
HRID 1231930 반응식
HRID 1231930생성물로Training data from https://doi.org/10.1039/C8SC04228D (5/10)

화합물 노트

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이 페이지에서기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
PubChem CID
3792
DTXSID
DTXSID7048320
ChEMBL
CHEMBL2107457
ChEBI
CHEBI:94809
UNII
81BMQ80QRL
EC Number
694-655-5
Nikkaji
J354.055C
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