ペリンドプリルT-ブチルアミン塩

Perindopril Erbumine

HCID 441313

基本情報

CAS
107133-36-8
標準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
分子式
C23H43N3O5
平均分子量
441.6 g/mol
単同位体質量
441.32027148

概要

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-).

名称と識別子

優先名称
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
現地名
ペリンドプリルT-ブチルアミン塩
英語名
Perindopril erbumine
分子式
C23H43N3O5
分子量
441.61

名称と別名

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
名称をさらに表示
ペリンドプリルT-ブチルアミン塩ペリンドプリルエルブミンペリンドプリルエルブミン (JAN)(2S,3aβ,7aβ)-1-[(S)-2-[[(S)-1-(エトキシカルボニル)ブチル]アミノ]-1-オキソプロピル]オクタヒドロ-1H-インドール-2α-カルボン酸・2-メチル-2-プロパンアミンコバシルペリンドプリルtert-ブチルアミンコバスローペリンドプリル・2-メチル-2-プロパンアミン(2S,3aβ,7aβ)-1-[(S)-2-[[(S)-1-(エトキシカルボニル)ブチル]アミノ]-1-オキソプロピル]オクタヒドロ-1H-インドール-2α-カルボン酸・tert-ブチルアミンペリンドプリル・tert-ブチルアミンペリンシールprindopril APIPerindopril ErbuMine (Aceon)Perindopril tert-butylamine saltPerindopril for stereochemical purity CRSCoversuMPrestariuMPerindorilPerinodopril
(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)

データベース識別子

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

物性

構造計算による物性

極性表面積
122 Ų
水素結合供与体数
3
水素結合受容体数
7
回転可能結合数
9
重原子数
31

実験および物理化学的性質

Human Drugs · 2 件

FDA approved drugs -> Active ingredient

FDA approved drugs -> Active ingredient

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

物理化学的性質

融点
126 · 126-128°C
貯蔵温度
2 · 2-8°C
溶解性
2 O: · H2O: 可溶10mg/mL、透明
外見
粉
色
白い
主な用途
医薬品(低分子化合物)

化学的性質

化学的特性White Solid

安全と法規制

GHS分類

GHS Classification · 5 件

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.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 4 (88.7%)

毒性情報

Drug Induced Liver Injury · 6 件

Drug Induced Liver Injury Rank (DILIrank 2.0)

Perindopril erbumine

Ambiguous-DILI-concern

3

Adverse reactions

DOI:10.1016/j.drudis.2016.02.015

安全データ

wgk
3
rtecs
NL5999600
hs_code
2933999552
risk_code
36/37/38
hazard_code
Xi
safety_code
26-36

化学と産業

薬理情報

FDA Pharmacological Classification · 2 件

PERINDOPRIL ERBUMINE

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

MeSH Pharmacological Classification · 2 件

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.

応用分野

使用An angiotensin-converting enzyme (ACE) inhibitor. Antihypertensive.

一般的な説明Pharmaceutical secondary standards for application in quality control provide pharma laboratories and manufacturers with a convenient and cost-effective alternative to the preparation of in-house working standards

サプライヤー101 社

国药集团化学试剂有限公司86-21-63210123 · [email protected]
LGM Pharma1-(800)-881-8210 · [email protected]
上海拓克化学科技有限公司+86-021-69895597 13776836200 +86-13776836200 · [email protected]
大连美仑生物技术有限公司0411-62910999 13889544652 · [email protected]
太原市瑞和丰科贸有限公司+86 351 7031519 · [email protected]

関連反応

8 件

化合物ノート

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