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CHEBI:59877 - enalaprilat dihydrate

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:
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)
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 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
enalprilat hydrateChEBI
enalprilate hydrateChemIDplus
1-(N-((S)-1-carboxy-3-phenylpropyl)-L-alanyl)-L-proline dihydrateChemIDplus
enalaprilatChemIDplus
Manual XrefsDatabases
DB00584DrugBank
D03769KEGG DRUG
Registry NumbersSources
CAS:84680-54-6ChemIDplus