Perindopril Erbumine

HCID 441313CAS 107133-36-8

기본 정보

표준 SMILES: CC(C)(C)N.CCC[C@H](N[C@@H](C)C(=O)N1[C@H](C(=O)O)C[C@@H]2CCCC[C@@H]21)C(=O)OCC
InChIKey: IYNMDWMQHSMDDE-MHXJNQAMSA-N
분자식: C23H43N3O5
평균 분자량: 441.6 g/mol
단동위원소 질량: 441.32027148

개요

Perindopril erbumine is an addition compound. It has a role as an EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor and an antihypertensive agent. It contains a perindopril(1-).

이름 및 식별자

우선 이름: Perindopril Erbumine
IUPAC: (2S,3aS,7aS)-1-[(2S)-2-[[(2S)-1-ethoxy-1-oxopentan-2-yl]amino]propanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid;2-methylpropan-2-amine

이름 및 동의어

PERINDOPRIL ERBUMINE107133-36-8ACEONPerindopril tert-butylamineMcN-A-2833-109S-9490-3DTXSID1044198NSC-7589291964X464OJCHEBI:8025(2S,3aS,7aS)-1-((S)-N-((S)-1-Carboxybutyl)alanyl)hexahydro-2-indolinecarboxylic acid, 1-ethyl ester, compound with tert-butylamine (1:1)DTXCID9024198

이름 더 보기

(2S,3aS,7aS)-1-[(S)-N-[(S)-1-Carboxybutyl]alanyl]hexahydro-2-indolinecarboxylic acid, 1-ethyl ester, compound with tert-butylamine (1:1)RefChem:570721H-Indole-2-carboxylic Acid, 1-(2-((1-(ethoxycarbonyl)butyl)amino)-1-oxopropyl)octahydro-,(2S-(1(R*(R*))2alpha,3abeta,7abeta))-, compound with 2-Methyl-2-propanamine(1:1)Perindopril erbumine [USAN]Perindopril t-Butylamine SaltPederindoprilPERINDOPRIL T-BUTYLAMINEPerindopril (erbumine)

데이터베이스 식별자

CAS: 107133-36-8
PubChem CID: 441313
DTXSID: DTXSID1044198
ChEMBL: CHEMBL1200343
ChEBI: CHEBI:8025
UNII: 1964X464OJ
EC Number: 600-798-6、944-458-8

물성

구조 계산 물성

극성 표면적: 122 Å²
수소 결합 공여자 수: 3
수소 결합 수용자 수: 7
회전 가능 결합 수: 9
무거운 원자 수: 31
형식 전하: 0
복잡도: 549

실험 및 물리화학적 성질

Human Drugs · 2건

FDA approved drugs -> Active ingredient

Collision Cross Section188.8 Å² [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 1.4% (1 of 71) of reports.

Warning

H302 (88.7%): Harmful if swallowed [Warning Acute toxicity, oral]

P203, P264, P270, P280, P301+P317, P318, P330, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 71 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (88.7%)

독성 정보

Drug Induced Liver Injury · 6건

Drug Induced Liver Injury Rank (DILIrank 2.0)

Perindopril erbumine

Ambiguous-DILI-concern

Adverse reactions

DOI:10.1016/j.drudis.2016.02.015

화학 및 산업

약리 정보

FDA Pharmacological Classification · 2건

PERINDOPRIL ERBUMINE

Angiotensin Converting Enzyme Inhibitor [EPC]; Angiotensin-converting Enzyme Inhibitors [MoA]

MeSH Pharmacological Classification · 2건

A class of drugs whose main indications are the treatment of hypertension and heart failure. They exert their hemodynamic effect mainly by inhibiting the renin-angiotensin system. They also modulate sympathetic nervous system activity and increase prostaglandin synthesis. They cause mainly vasodilation and mild natriuresis without affecting heart rate and contractility.

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.