기본 정보
- CAS
82768-85-2- 표준 SMILES
C[C@H](N[C@@H](CCc1ccccc1)C(=O)O)C(=O)N1Cc2ccccc2C[C@H]1C(=O)O- InChIKey
FLSLEGPOVLMJMN-YSSFQJQWSA-N- 분자식
- C23H26N2O5
- 평균 분자량
- 410.5 g/mol
- 단동위원소 질량
- 410.18417193
개요
Quinaprilat is a dicarboxylic acid resulting from the hydrolysis of the ethyl ester group of quinapril to give the corresponding dicarboxylic acid. The active angiotensin-converting enzyme inhibitor (ACE inhibitor) of the prodrug quinapril. It has a role as an EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor, a vasodilator agent and an antihypertensive agent. It is a tertiary carboxamide, a member of isoquinolines and a dicarboxylic acid.
이름 및 식별자
- 우선 이름
- Quinaprilat
- IUPAC
- (3S)-2-[(2S)-2-[[(1S)-1-carboxy-3-phenylpropyl]amino]propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
- 현지명
- QUINAPRILAT하이드레이트
- 영어명
- QUINAPRILAT HYDRATE
- 분자식
- C23H26N2O5
- 분자량
- 410.46
이름 및 동의어
Quinaprilat82768-85-2CI-928quinaprilateQuinapril diacidCI 928quinaprilatum34SSX5LDE5NSC-759825DTXSID40868904CL-928CHEBI:140296
이름 더 보기
QUINAPRILAT하이드레이트CI-92ci928Quinapril USP RC BQUINAPRILAT HYDRATEQuinapril EP Impurity CQuinapril USP impurity BQuinapril Related CoMpound BQuinapril USP Related CoMpound B
3-Isoquinolinecarboxylic acid, 2-(2-((1-carboxy-3-phenylpropyl)amino)-1-oxopropyl)-1,2,3,4-tetrahydro-, (3S-(2(R*(R*)),3R*))-3-Isoquinolinecarboxylic acid, 2-((2S)-2-(((1S)-1-carboxy-3-phenylpropyl)amino)-1-oxopropyl)-1,2,3,4-tetrahydro-, (3S)-(3S)-2-[(2S)-2-[[(2S)-1-hydroxy-1-oxo-4-phenylbutan-2-yl]amino]propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid(3S)-2-[(2S)-2-{[(1S)-1-carboxy-3-phenylpropyl]amino}propanoyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid(3S)-2-((2S)-2-(((1S)-1-carboxy-3-phenylpropyl)amino)propanoyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid(3S)-2-((2S)-2-(((2S)-1-hydroxy-1-oxo-4-phenylbutan-2-yl)amino)propanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid(3S)-2-((S)-N-((S)-1-CARBOXY-3-PHENYLPROPYL)ALANYL)-1,2,3,4-TETRAHYDRO-3-ISOQUINOLINECARBOXYLIC ACID(3s)-2-[(s)-n-[(s)-1-carboxy-3-phenylpropyl]alanyl]-1,2,3,4-tetrahydro-3-isoquinolinecarboxylic acid
물성
구조 계산 물성
- XLogP
- 0.5
- 극성 표면적
- 107 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 30
- 형식 전하
- 0
- 복잡도
- 619
물리화학적 성질
- 녹는점
- 166 · 166-1680C
- 끓는 점
- 674.5 · 674.5±55.0 °C(Predicted)
- 밀도
- 1.289 · 1.289±0.06 g/cm3(Predicted)
- 저장 조건
- Refrigerator
- 용해도
- 23 mg/mL · DMSO: ≥23mg/mL
- 산도 계수 (pKa)
- 2.19 · 2.19±0.10(Predicted)
- 물리적 상태
- 가루
- 색상
- 흰색에서 황갈색까지
- 주요 응용
- 의약품(소분자)
- InChIKey
- FLSLEGPOVLMJMN-YSSFQJQWSA-N
- SMILES
- N2([C@@H](Cc3c(cccc3)C2)C(=O)O)C(=O)[C@@H](N[C@@H](CCc1ccccc1)C(=O)O)C
화학적 성질
Crystalline Solid
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
유해성 정보
Regulatory Information3-Isoquinolinecarboxylic acid, 2-(2S)-2-(1S)-1-carboxy-3-phenylpropylamino-1-oxopropyl-1,2,3,4-tetrahydro-, (3S)-: Does not have an individual approval but may be used under an appropriate group standard
안전 데이터
- wgk
- 3
- ridadr
- UN 2811 6.1 / PGIII
- HS 번호
- 2933492250
- risk_code
- 25-50
- hazard_code
- T,N
- safety_code
- 45-61
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
약리 정보
FDA Pharmacological Classification
34SSX5LDE5
QUINAPRILAT
Established Pharmacologic Class [EPC] - Angiotensin Converting Enzyme Inhibitor
Mechanisms of Action [MoA] - Angiotensin-converting Enzyme Inhibitors
Quinaprilat is an Angiotensin Converting Enzyme Inhibitor. The mechanism of action of quinaprilat is as an Angiotensin-converting Enzyme Inhibitor.
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.
Metabolite PathwaysQuinapril Action Pathway
공급사3 곳
2A PharmaChem USA[email protected]
Leancare Ltd.[email protected]
3B Scientific Corporation[email protected]
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