Grundinformationen
- Standard-SMILES
CC(C)(C)N.CCC[C@H](N[C@@H](C)C(=O)N1[C@H](C(=O)O)C[C@@H]2CCCC[C@@H]21)C(=O)OCC- InChIKey
IYNMDWMQHSMDDE-MHXJNQAMSA-N- Summenformel
- C23H43N3O5
- Durchschnittliche Molmasse
- 441,6 g/mol
- Monoisotopische Masse
- 441,32027148
Überblick
Perindopril erbumine is an addition compound. It has a role as an EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor and an antihypertensive agent. It contains a perindopril(1-).
Namen und Bezeichner
- Bevorzugter Name
- Perindopril Erbumine
- IUPAC
- (2S,3aS,7aS)-1-[(2S)-2-[[(2S)-1-ethoxy-1-oxopentan-2-yl]amino]propanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid;2-methylpropan-2-amine
Namen und Synonyme
PERINDOPRIL ERBUMINE107133-36-8ACEONPerindopril tert-butylamineMcN-A-2833-109S-9490-3DTXSID1044198NSC-7589291964X464OJCHEBI:8025(2S,3aS,7aS)-1-((S)-N-((S)-1-Carboxybutyl)alanyl)hexahydro-2-indolinecarboxylic acid, 1-ethyl ester, compound with tert-butylamine (1:1)DTXCID9024198
Weitere Namen anzeigen
(2S,3aS,7aS)-1-[(S)-N-[(S)-1-Carboxybutyl]alanyl]hexahydro-2-indolinecarboxylic acid, 1-ethyl ester, compound with tert-butylamine (1:1)RefChem:570721H-Indole-2-carboxylic Acid, 1-(2-((1-(ethoxycarbonyl)butyl)amino)-1-oxopropyl)octahydro-,(2S-(1(R*(R*))2alpha,3abeta,7abeta))-, compound with 2-Methyl-2-propanamine(1:1)Perindopril erbumine [USAN]Perindopril t-Butylamine SaltPederindoprilPERINDOPRIL T-BUTYLAMINEPerindopril (erbumine)
Datenbank-Bezeichner
- CAS
107133-36-8- PubChem CID
- 441313
- DTXSID
DTXSID1044198- ChEMBL
CHEMBL1200343- ChEBI
CHEBI:8025- UNII
- 1964X464OJ
- EC Number
- 600-798-6、944-458-8
Eigenschaften
Berechnete Struktureigenschaften
- Polarare Oberfläche (TPSA)
- 122 Ų
- H-Brücken-Donoren
- 3
- H-Brücken-Akzeptoren
- 7
- Frei drehbare Bindungen
- 9
- Schwere Atome
- 31
- Formalladung
- 0
- Komplexität
- 549
Experimentelle und physikochemische Eigenschaften
Human Drugs
FDA approved drugs -> Active ingredient
FDA approved drugs -> Active ingredient
Collision Cross Section188.8 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 1.4% (1 of 71) of reports.
Warning
H302 (88.7%): Harmful if swallowed [Warning Acute toxicity, oral]
P203, P264, P270, P280, P301+P317, P318, P330, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 71 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Hazard Classes and CategoriesAcute Tox. 4 (88.7%)
Toxikologische Informationen
Drug Induced Liver Injury
Drug Induced Liver Injury Rank (DILIrank 2.0)
Perindopril erbumine
Ambiguous-DILI-concern
3
Adverse reactions
DOI:10.1016/j.drudis.2016.02.015
Chemie und Industrie
Pharmakologische Informationen
FDA Pharmacological Classification
PERINDOPRIL ERBUMINE
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.
Zugehörige Reaktionen
8
Verknüpfte Notizen
Wird geladen…