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
名称をさらに表示
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
- 形式電荷
- 0
- 複雑度
- 549
実験および物理化学的性質
Human Drugs
FDA approved drugs -> Active ingredient
FDA approved drugs -> Active ingredient
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)
- InChIKey
- IYNMDWMQHSMDDE-FEWFLNQGNA-N
- SMILES
- C(N)(C)(C)C.C(N1[C@@H](C[C@]2([H])CCCC[C@]12[H])C(=O)O)(=O)[C@H](C)N[C@@H](CCC)C(=O)OCC |&1:7,9,15,21,24,r|
化学的性質
化学的特性White Solid
安全と法規制
GHS分類
GHS Classification
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
毒性情報
Drug Induced Liver Injury
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
- Hazard Classifications
- Repr. 2
- ストレージクラス
- 11 - Combustible Solids
化学と産業
薬理情報
FDA Pharmacological Classification
PERINDOPRIL ERBUMINE
Angiotensin Converting Enzyme Inhibitor [EPC]; Angiotensin-converting Enzyme Inhibitors [MoA]
MeSH Pharmacological Classification
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
上流・下流製品情報
上流原料
下流製品
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