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CHEBI:8714 - quinapril hydrochloride

ChEBI IDCHEBI:8714
ChEBI Namequinapril hydrochloride
Stars
DefinitionA hydrochloride resulting from the reaction of equimolar amounts of quinapril and hydrogen chloride. A prodrug for quinaprilat hydrochloride (by hydrolysis of the ethyl ester to the corresponding carboxylic acid), it is used as an angiotensin-converting enzyme inhibitor (ACE inhibitor) for the treatment of hypertension and congestive heart failure.
Last Modified1 August 2018
DownloadsMolfile
FormulaC25H30N2O5.HCl
Net Charge0
Average Mass474.985
Monoisotopic Mass474.19215
SMILESCCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)O.Cl
InChIInChI=1S/C25H30N2O5.ClH/c1-3-32-25(31)21(14-13-18-9-5-4-6-10-18)26-17(2)23(28)27-16-20-12-8-7-11-19(20)15-22(27)24(29)30;/h4-12,17,21-22,26H,3,13-16H2,1-2H3,(H,29,30);1H/t17-,21-,22-;/m0./s1
InChIKeyIBBLRJGOOANPTQ-JKVLGAQCSA-N
Roles Classification
Biological Role:
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor  An EC 3.4.15.* (peptidyl-dipeptidase) inhibitor that interferes with the action of peptidyl-dipeptidase A (EC 3.4.15.1).
Applications:
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor  An EC 3.4.15.* (peptidyl-dipeptidase) inhibitor that interferes with the action of peptidyl-dipeptidase A (EC 3.4.15.1).
antihypertensive agent  Any drug used in the treatment of acute or chronic vascular hypertension regardless of pharmacological mechanism.
ChEBI Ontology
Outgoing Relation(s)
quinapril hydrochloride (CHEBI:8714) has part quinapril(1+) (CHEBI:141523)
quinapril hydrochloride (CHEBI:8714) has role antihypertensive agent (CHEBI:35674)
quinapril hydrochloride (CHEBI:8714) has role EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor (CHEBI:35457)
quinapril hydrochloride (CHEBI:8714) is a hydrochloride (CHEBI:36807)
IUPAC Names 
(3S)-2-{(2S)-2-[(1S)-1-ethoxycarbonyl-3-phenylpropylamino]propanoyl}-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid hydrochloride
(3S)-2-[(2S)-2-{[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino}propanoyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid hydrochloride
(3S)-2-{N-[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]-L-alanyl}-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid hydrochloride
Synonyms  Source
Quinapril hydrochlorideKEGG COMPOUND
CI-906ChEBI
Brand Names  Source
AccuprilDrugBank
AccuprinDrugBank
AccuproDrugBank
AcequinDrugBank
AcuitelDrugBank
KorecDrugBank
Manual XrefsDatabases
C07340KEGG COMPOUND
D00459KEGG DRUG
US7482361Patent
WO2004087671Patent
2340DrugCentral
Registry NumbersSources
Beilstein:5699760Beilstein
CAS:82586-55-8KEGG COMPOUND
CAS:82586-55-8ChemIDplus
Citations