Cilazapril Monohydrate

HCID 56329

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Grundinformationen

CAS: 92077-78-6
Standard-SMILES: CCOC(=O)[C@H](CCc1ccccc1)N[C@H]1CCCN2CCC[C@@H](C(=O)O)N2C1=O.O
InChIKey: JQRZBPFGBRIWSN-YOTVLOEGSA-N
Summenformel: C22H33N3O6
Durchschnittliche Molmasse: 435,5 g/mol
Monoisotopische Masse: 435,23693578

Überblick

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.

Namen und Bezeichner

Bevorzugter Name: 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
Englischer Name: Cilazapril Monohydrate
Summenformel: C22H31N3O5.H2O
Molmasse: 435.51

Namen und Synonyme

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)

Weitere Namen anzeigen

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]

Datenbank-Bezeichner

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

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 100 Å²
H-Brücken-Donoren: 3
H-Brücken-Akzeptoren: 8
Frei drehbare Bindungen: 9
Schwere Atome: 31
Formalladung: 0
Komplexität: 608

Physikochemische Eigenschaften

Schmelzpunkt: 98 ° · 98° (dec)
storage temp.: -20 °C · Store at -20°C
Löslichkeit: Slightly soluble in water, freely soluble in methanol and in methylene chloride.
Aggregatzustand: Solid
pka: 1 · pKa1 3.3; pKa2 6.4(at 25℃)
Farbe: White to off-white
Major Application: pharmaceutical (small molecule)
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

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

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.

Gefahrenhinweise

Hazard Classes and CategoriesRepr. 2 (100%)

Sicherheitsdaten

Alarmwort: Warnung
Gefahrenhinweise: Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H361

Chemie und Industrie

Pharmakologische Informationen

MeSH Pharmacological Classification · 2 Einträge

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.

Anwendungen · 2 Einträge

BeschreibungCilazapril 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.

VerwendenAntihypertensive.