基本情報
- CAS
82586-52-5- 標準SMILES
CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1Cc2cc(OC)c(OC)cc2C[C@H]1C(=O)O.Cl- InChIKey
JXRAXHBVZQZSIC-JKVLGAQCSA-N- 分子式
- C27H35ClN2O7
- 平均分子量
- 535 g/mol
- 単同位体質量
- 534.2132792
名称と識別子
- 優先名称
- Moexipril Hydrochloride
- IUPAC
- (3S)-2-[(2S)-2-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]propanoyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-3-carboxylic acid;hydrochloride
- 現地名
- モエキシプリル塩酸塩
- 英語名
- Moexipril hydrochloride
- 分子式
- C27H35ClN2O7
- 分子量
- 535.03
名称と別名
MOEXIPRIL HYDROCHLORIDE82586-52-5Moexipril HCLSPM 925CI 925DTXSID7044267RS-10085-197SPM-925Q1UMG3UH45DTXCID50242673-Isoquinolinecarboxylic acid, 2-(2-((1-(ethoxycarbonyl)-3-phenylpropyl)amino)-1-oxopropyl)-1,2,3,4-tetrahydro-6,7-dimethoxy-, monohydrochloride, (3S-(2(R*(R*)),3R*))-(3S)-2-((2S)-N-((1S)-1-Carboxy-3-phenylpropyl)alanyl)-1,2,3,4-tetrahydro-6,7-dimethoxy-3-isoquinolinecarboxylic acid, 2-ethyl ester, monohydrochloride
名称をさらに表示
モエキシプリル塩酸塩モエキシプリル 塩酸塩(3S)-2-[(S)-2-[[(S)-1-(エトキシカルボニル)-3-フェニルプロピル]アミノ]-1-オキソプロピル]-1,2,3,4-テトラヒドロ-6,7-ジメトキシ-3-イソキノリンカルボン酸・塩酸塩塩酸モエキシプリルウニバスクPerdixRS-10085FempressMoexipril HCl - Bio-X ?Moexipril HCl (RS-10085)
(3S)-2-[(2S)-N-[(1S)-1-Carboxy-3-phenylpropyl]alanyl]-1,2,3,4-tetrahydro-6,7-dimethoxy-3-isoquinolinecarboxylic acid, 2-ethyl ester, monohydrochlorideRefChem:57153617-363-1UnivascMoexipril hydrochloride [USAN]CI-925Moexipril (hydrochloride)(3S)-2-[(2S)-2-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]propanoyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-3-carboxylic acid;hydrochloride
物性
構造計算による物性
- 極性表面積
- 114 Ų
- 水素結合供与体数
- 3
- 水素結合受容体数
- 8
- 回転可能結合数
- 12
- 重原子数
- 37
- 形式電荷
- 0
- 複雑度
- 742
物理化学的性質
- 融点
- 141 · 141-1610C
- 比旋光度
- 23 · D23 +34.2° (c = 1.1 in ethanol)
- 貯蔵温度
- 2 · 2-8°C
- 溶解性
- 2 O: · H2O: 可溶32mg/mL
- 外見
- 粉
- 色
- White to off-white
- 水溶解度
- 2 O: · H2O: 32mg/mL
- InChIKey
- JXRAXHBVZQZSIC-JKVLGAQCSA-N
- SMILES
- Cl.CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N2Cc3cc(OC)c(OC)cc3C[C@H]2C(O)=O
化学的性質
化学的特性Crystalline Solid
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
Warning
H400 (95.1%): 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 41 reports by companies from 2 notifications to the ECHA C&L Inventory.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
危険有害性情報
Hazard Classes and CategoriesAquatic Acute 1 (95.1%)
毒性情報
Drug Induced Liver Injury
Drug Induced Liver Injury Rank (DILIrank 2.0)
Moexipril hydrochloride
Ambiguous-DILI-concern
3
Adverse reactions
DOI:10.1016/j.drudis.2016.02.015
Effects During Pregnancy and Lactation
◉ Summary of Use during Lactation；Because no information is available on the use of moexipril during breastfeeding, an alternate drug may be preferred, especially while nursing a newborn or preterm infant.；◉ Effects in Breastfed Infants；Relevant published information was not found as of the revision date.；◉ Effects on Lactation and Breastmilk；Relevant published information was not found as of the revision date.
安全データ
- wgk
- 3
- rtecs
- NW7174500
化学と産業
薬理情報
FDA Pharmacological Classification
MOEXIPRIL HYDROCHLORIDE
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
説明Moexipril hydrochloride is a novel ACE inhibitor first marketed in the U.S.A. for the treatment of hypertension as a monotherapy and as a second-line therapy in combination with diuretics or calcium antagonists. Like other ACE inhibitors, moexipril is a prodrug that is converted in the liver to its diacid moexiprilat which is the active agent. Moexipril displays a higher in vitro inhibitory potency to ACE than enalapril although its effectiveness in reduction of blood pressure in hypertensive patients is similar to that seen with enalapril. It is orally active with a rapid onset and prolonged duration of action. Excellent tolerability has been reported. Moexipril is distinguished by its lower cost than other marketed ACE inhibitors.
使用Angiotensin converting enzyme (ACE) inhibitor; dimethoxy analog of quinapril
上流・下流製品情報
上流原料
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