Cilazapril Monohydrate

HCID 56329CAS 92077-78-6

기본 정보

표준 SMILES: CCOC(=O)[C@H](CCc1ccccc1)N[C@H]1CCCN2CCC[C@@H](C(=O)O)N2C1=O.O
InChIKey: JQRZBPFGBRIWSN-YOTVLOEGSA-N
분자식: C22H33N3O6
평균 분자량: 435.5 g/mol
단동위원소 질량: 435.23693578

개요

Cilazapril monohydrate is a hydrate that is the monohydrate of cilazapril. It is used for the treatment of hypertension and heart failure. It has a role as an EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor, an antihypertensive agent and a prodrug. It contains a cilazapril.

이름 및 식별자

우선 이름: Cilazapril Monohydrate
IUPAC: (4S,7S)-7-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]-6-oxo-1,2,3,4,7,8,9,10-octahydropyridazino[1,2-a]diazepine-4-carboxylic acid;hydrate
영어명: Cilazapril Monohydrate
분자식: C22H31N3O5.H2O
분자량: 435.51

이름 및 동의어

CILAZAPRIL MONOHYDRATE92077-78-6Ro 31-2848 monohydrateCilazapril hydrateCHEBI:145568DTXSID00238846(1S,9S)-9-(((S)-1-Carboxy-3-phenylpropyl)amino)octahydro-10-oxo-6H-pyridazino(1,2-a)(1,2)diazepine-1-carboxylic acid 9-ethyl ester monohydrate(1S,9S)-9-[[(S)-1-Carboxy-3-phenylpropyl]amino]octahydro-10-oxo-6H-pyridazino[1,2-a][1,2]diazepine-1-carboxylic acid 9-ethyl ester monohydrateRefChem:918623DTXCID50161337(1S,9S)-9-((1S)-(1-Ethoxycarbonyl-3-phenylpropyl)amino)-10-oxooctahydro-6H-pyridazino(1,2-a)(1,2)diazepine-1-carboxylic acid monohydrateCilazapril (monohydrate)

이름 더 보기

JustorDynormVascaseInitissInhibaceCilazapril CRSCILAZAPRIL EPC(Vascace monohydrateInhibace monohydrate

Cilazapril (USAN)(4S,7S)-7-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]-6-oxo-1,2,3,4,7,8,9,10-octahydropyridazino[1,2-a]diazepine-4-carboxylic acid;hydrateInhibace (TN)CILAZAPRIL [USAN](1S,9S)-9-(((S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino)-10-oxooctahydro-6H-pyridazino[1,2-a][1,2]diazepine-1-carboxylic acid hydrate(1S,9S)-9-{[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino}-10-oxooctahydro-6H-pyridazino[1,2-a][1,2]diazepine-1-carboxylic acid--water (1/1)MFCD00865788Cilazapril [USAN:INN:BAN:JAN]

데이터베이스 식별자

CAS: 92077-78-6
PubChem CID: 56329
DTXSID: DTXSID00238846
ChEBI: CHEBI:145568
UNII: 19KW7PI29F
EC Number: 620-542-7

물성

구조 계산 물성

극성 표면적: 100 Å²
수소 결합 공여자 수: 3
수소 결합 수용자 수: 8
회전 가능 결합 수: 9
무거운 원자 수: 31
형식 전하: 0
복잡도: 608

물리화학적 성질

녹는점: 98 ° · 98° (dec)
저장 조건: -20 °C · Store at -20°C
용해도: 물에 약간 용해되고, 메탄올과 염화메틸렌에 잘 용해됩니다.
물리적 상태: Solid
산도 계수 (pKa): 1 · pKa1 3.3; pKa2 6.4(at 25℃)
색상: White to off-white
주요 응용: 의약품(소분자)
InChIKey: JQRZBPFGBRIWSN-YOTVLOEGSA-N
SMILES: N21N(CCC[C@H]2C(=O)O)CCC[C@@H](C1=O)N[C@@H](CCc3ccccc3)C(=O)OCC.O

화학적 성질

White or almost white, crystalline powder.

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H361 (100%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity]

P203, P280, P318, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory.

유해성 정보

Hazard Classes and CategoriesRepr. 2 (100%)

안전 데이터

신호 어: Warning
유해·위험 문구: 암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H361

화학 및 산업

약리 정보

MeSH Pharmacological Classification · 2건

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.

응용 분야 · 2건

개요Cilazapril is a new ACE inhibitor useful in the management of mild to moderate hypertension. Orally administered cilazapril is a prodrug which is de-esterified to its active diacid metabolite cilazprilat. Compared with enalapril and captopril, cilazapril is more potent and longer lasting.

용도Antihypertensive.

상·하류 제품 정보

상류 원료

공급사45 곳

陕西缔都新材料有限公司81124267 17392282731 · [email protected]

成都超九八生物科技有限公司13348960310 13348960310 · [email protected]

艾吉析科技（上海）有限公司17717235263 · [email protected]

上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]

Aladdin Scientific[email protected]

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