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CHEBI:59877 - enalaprilat dihydrate

Default Structure
ChEBI IDCHEBI:59877
ChEBI Nameenalaprilat dihydrate
Stars
DefinitionThe dihydrate form of enalaprilat, an angiotensin-converting enzyme (ACE) inhibitor that is used (often in the form of its prodrug, enalapril) in the treatment of hypertension and heart failure, for reduction of proteinuria and renal disease in patients with nephropathies, and for the prevention of stroke, myocardial infarction, and cardiac death in high-risk patients. Unlike enalapril, enalaprilat is not absorbed by mouth but is administered by intravenous injection.
Last Modified27 July 2010
SubmitterGareth Owen
DownloadsMolfile
FormulaC18H24N2O5.2H2O
Net Charge0
Average Mass384.429
Monoisotopic Mass384.18965
SMILESC[C@H](N[C@@H](CCc1ccccc1)C(=O)O)C(=O)N1CCC[C@H]1C(=O)O.O.O
InChIInChI=1S/C18H24N2O5.2H2O/c1-12(16(21)20-11-5-8-15(20)18(24)25)19-14(17(22)23)10-9-13-6-3-2-4-7-13;;/h2-4,6-7,12,14-15,19H,5,8-11H2,1H3,(H,22,23)(H,24,25);2*1H2/t12-,14-,15-;;/m0../s1
InChIKeyMZYVOFLIPYDBGD-MLZQUWKJSA-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:
antihypertensive agent  Any drug used in the treatment of acute or chronic vascular hypertension regardless of pharmacological mechanism.
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.
ChEBI Ontology
Outgoing Relation(s)
enalaprilat dihydrate (CHEBI:59877) has part enalaprilat (anhydrous) (CHEBI:4786)
enalaprilat dihydrate (CHEBI:59877) has role antihypertensive agent (CHEBI:35674)
enalaprilat dihydrate (CHEBI:59877) has role cardiovascular drug (CHEBI:35554)
enalaprilat dihydrate (CHEBI:59877) has role EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor (CHEBI:35457)
enalaprilat dihydrate (CHEBI:59877) is a hydrate (CHEBI:35505)
IUPAC Name 
N-[(1S)-1-carboxy-3-phenylpropyl]-L-alanyl-L-proline—water (1/2)
Synonyms  Source
1-(N-((S)-1-carboxy-3-phenylpropyl)-L-alanyl)-L-proline dihydrateChemIDplus
enalaprilatChEMBL
enalaprilatChemIDplus
Enalapril diacid dihydrateChEMBL
Enalapril diacid dihydrate anhydrousChEMBL
enalprilate hydrateChemIDplus
Manual XrefsDatabases
D03769KEGG DRUG
DB00584DrugBank
Registry NumbersSources
CAS:84680-54-6ChemIDplus