A member of the class of isoquinolines that is (3S)-2-L-alanyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid in which the alpha-amino group of the alanyl residue has been substituted by a 1-ethoxycarbonyl-4-phenylbutan-2-yl group (the all-S isomer). A prodrug for quinaprilat (by hydrolysis of the ethyl ester to the corresponding carboxylic acid), it is used as an angiotensin-converting enzyme inhibitor (ACE inhibitor) used (generally as the hydrochloride salt) for the treatment of hypertension and congestive heart failure.

Synonyms: Quinapril (3S)-2-{(2S)-2-[(1S)-1-ethoxycarbonyl-3-phenylpropylamino]propanoyl}-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid (3S)-2-{N-[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]-L-alanyl}-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid

This is just here as a test because I lose it

Term information

database cross reference
Subsets

3_STAR

charge

0

database cross reference

Patent:US4344949

PMID:29980144

CAS:85441-61-8

KEGG:D03752

Drug_Central:2340

LINCS:LSM-3620

PMID:17404826

DrugBank:DB00881

PMID:27165572

Wikipedia:Quinapril

KEGG:C07398

PMID:27169890

formula

C25H30N2O5

has related synonym

quinapril

quinaprilum

(3S)-2-{N-[(2S)-1-ethoxycarbonyl-4-phenylbutan-2-yl]-L-alanyl}-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid

has obo namespace

chebi_ontology

id

CHEBI:8713

imported from

http://purl.obolibrary.org/obo/chebi.owl

inchi

InChI=1S/C25H30N2O5/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)/t17-,21-,22-/m0/s1

inchikey

JSDRRTOADPPCHY-HSQYWUDLSA-N

mass

438.517

monoisotopicmass

438.21547

smiles

C1C2=C(C[C@H](N1C([C@@H](N[C@H](C(OCC)=O)CCC=3C=CC=CC3)C)=O)C(O)=O)C=CC=C2

Term relations