기본 정보
- CAS
95399-71-6- 표준 SMILES
O=C(O)[C@@H]1C[C@@H](C2CCCCC2)CN1C(=O)CP(=O)(O)CCCCc1ccccc1- InChIKey
WOIWWYDXDVSWAZ-RTWAWAEBSA-N- 분자식
- C23H34NO5P
- 평균 분자량
- 435.5 g/mol
- 단동위원소 질량
- 435.21746018
개요
Fosinoprilat is a phosphinic acid-containing N-acyl derivative of (4S)-cyclohexyl-L-proline. An inhibitor of angiotensin converting enzyme (ACE), it is used as the phosphinate ester pro-drug fosinopril for treatment of hypertension and chronic heart failure. It has a role as an EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor and an antihypertensive agent. It is a member of phosphinic acids and a L-proline derivative.
이름 및 식별자
- 우선 이름
- Fosinoprilat
- IUPAC
- (2S,4S)-4-cyclohexyl-1-[2-[hydroxy(4-phenylbutyl)phosphoryl]acetyl]pyrrolidine-2-carboxylic acid
- 현지명
- 포시노프라트
- 영어명
- FOSINOPRILAT
- 분자식
- C23H34NO5P
- 분자량
- 435.49
이름 및 동의어
Fosinoprilat95399-71-6fosfenoprilFosinopril diacidFosinoprilic acidFosinoprilatumSQ-27519SQ 27,519PU6BA2D2MD(4S)-4-Cyclohexyl-1-((hydroxy(4-phenylbutyl)phosphinyl)acetyl)-L-prolineS312EY6ZT8SO-27519
이름 더 보기
포시노프라트FospenoprilForsinoprilatFosinoprilat-D5fosinoprilicacidFosinopril ImpuritySQ 27519 Disodium Salt
CHEBI:116962DTXSID80869253L-Proline, 4-cyclohexyl-1-((hydroxy(4-phenylbutyl)phosphinyl)acetyl)-, trans-(4S)-4-cyclohexyl-1-{[hydroxy(4-phenylbutyl)phosphoryl]acetyl}-L-proline(4S)-4-cyclohexyl-1-((hydroxy(4-phenylbutyl)phosphoryl)acetyl)-L-proline(2S,4S)-4-cyclohexyl-1-(2-(hydroxy-(4-phenylbutyl)phosphoryl)acetyl)pyrrolidine-2-carboxylic acid(2S,4S)-4-cyclohexyl-1-[2-(hydroxy-(4-phenylbutyl)phosphoryl)acetyl]pyrrolidine-2-carboxylic acidRefChem:57081
데이터베이스 식별자
- CAS
95399-71-6- PubChem CID
- 62956
- DTXSID
DTXSID80869253
물성
구조 계산 물성
- XLogP
- 3.8
- 극성 표면적
- 94.9 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 30
- 형식 전하
- 0
- 복잡도
- 627
실험 및 물리화학적 성질
LogP4.08
물리화학적 성질
- 녹는점
- 3000 C · >3000C
- 끓는 점
- 728.9 · 728.9±60.0 °C(Predicted)
- 밀도
- 1.238 · 1.238±0.06 g/cm3(Predicted)
- 저장 조건
- -20 °C · -20°C Freezer
- 용해도
- 메탄올(약간 용해됨), 물(약간 용해됨)
- 산도 계수 (pKa)
- 2.75 · 2.75±0.50(Predicted)
- 물리적 상태
- 고체
- 색상
- 흰색에서 황백색까지
- 안정성
- 흡습성
- 주요 응용
- 의약품(소분자)
- InChIKey
- WOIWWYDXDVSWAZ-RTWAWAEBSA-N
- SMILES
- [P](=O)(O)(CCCCc3ccccc3)CC(=O)N1[C@@H](C[C@H](C1)C2CCCCC2)C(=O)O
화학적 성질
White Crystalline Solid
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H360 (100%): May damage fertility or the unborn child [Danger Reproductive toxicity]
P203, P280, P318, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
유해성 정보
Regulatory InformationL-Proline, 4-cyclohexyl-1-hydroxy(4-phenylbutyl)phosphinylacetyl-, (4S)-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesRepr. 1A (100%)
안전 데이터
- wgk
- 3
- HS 번호
- 2933995300
- Hazard Classifications
- Repr. 1A
- 스토리지 클래스
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
화학 및 산업
약리 정보
FDA Pharmacological Classification
S312EY6ZT8
FOSINOPRILAT
Established Pharmacologic Class [EPC] - Angiotensin Converting Enzyme Inhibitor
Mechanisms of Action [MoA] - Angiotensin-converting Enzyme Inhibitors
Fosinoprilat is an Angiotensin Converting Enzyme Inhibitor. The mechanism of action of fosinoprilat 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.
Agents used for the treatment or prevention of cardiac arrhythmias. They may affect the polarization-repolarization phase of the action potential, its excitability or refractoriness, or impulse conduction or membrane responsiveness within cardiac fibers. Anti-arrhythmia agents are often classed into four main groups according to their mechanism of action: sodium channel blockade, beta-adrenergic blockade, repolarization prolongation, or calcium channel blockade.
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.
응용 분야
용도Fosinoprilat (Fosinopril EP Impurity A) is a metabolite of Fosinopril (F727800), a phosphinic acid containing angiotensin converting enzyme (ACE) inhibitor.
공급사37 곳
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