quinapril hydrochloride (CHEBI:8714)

CHEBI:8714 - quinapril hydrochloride

ChEBI ID	CHEBI:8714
ChEBI Name	quinapril hydrochloride
Stars
Definition	A 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 Modified	1 August 2018
Downloads	Molfile

Formula	C25H30N2O5.HCl
Net Charge	0
Average Mass	474.985
Monoisotopic Mass	474.19215
SMILES	CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)O.Cl
InChI	InChI=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
InChIKey	IBBLRJGOOANPTQ-JKVLGAQCSA-N

Roles Classification

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).

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).

cardiovascular drug A drug that affects the rate or intensity of cardiac contraction, blood vessel diameter or blood volume.

hypoglycemic agent A drug which lowers the blood glucose level.

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 cardiovascular drug (CHEBI:35554)
	quinapril hydrochloride (CHEBI:8714) has role EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor (CHEBI:35457)
	quinapril hydrochloride (CHEBI:8714) has role hypoglycemic agent (CHEBI:35526)
	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

Citations