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CHEBI:145568 - cilazapril monohydrate

ChEBI IDCHEBI:145568
ChEBI Namecilazapril monohydrate
Stars
DefinitionA hydrate that is the monohydrate of cilazapril. It is used for the treatment of hypertension and heart failure.
Last Modified28 January 2020
SubmitterAdnan
DownloadsMolfile
FormulaC22H31N3O5.H2O
Net Charge0
Average Mass435.521
Monoisotopic Mass435.23694
SMILESCCOC(=O)[C@H](CCc1ccccc1)N[C@H]1CCCN2CCC[C@@H](C(=O)O)N2C1=O.O
InChIInChI=1S/C22H31N3O5.H2O/c1-2-30-22(29)18(13-12-16-8-4-3-5-9-16)23-17-10-6-14-24-15-7-11-19(21(27)28)25(24)20(17)26;/h3-5,8-9,17-19,23H,2,6-7,10-15H2,1H3,(H,27,28);1H2/t17-,18-,19-;/m0./s1
InChIKeyJQRZBPFGBRIWSN-YOTVLOEGSA-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).
prodrug  A compound that, on administration, must undergo chemical conversion by metabolic processes before becoming the pharmacologically active drug for which it is a prodrug.
ChEBI Ontology
Outgoing Relation(s)
cilazapril monohydrate (CHEBI:145568) has part cilazapril (CHEBI:3698)
cilazapril monohydrate (CHEBI:145568) has role antihypertensive agent (CHEBI:35674)
cilazapril monohydrate (CHEBI:145568) has role EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor (CHEBI:35457)
cilazapril monohydrate (CHEBI:145568) has role prodrug (CHEBI:50266)
cilazapril monohydrate (CHEBI:145568) is a hydrate (CHEBI:35505)
IUPAC Name 
(1S,9S)-9-{[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino}-10-oxooctahydro-6H-pyridazino[1,2-a][1,2]diazepine-1-carboxylic acid—water (1/1)
Synonyms  Source
(1S,9S)-9-{[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino}-10-oxooctahydro-6H-pyridazino[1,2-a][1,2]diazepine-1-carboxylic acid hydrateIUPAC
cilazapril.H2OChEBI
cilazapril hydrateKEGG DRUG
Ro 31-2848 monohydrateChemIDplus
cilazaprilChemIDplus
Brand Names  Source
InhibaceKEGG DRUG
JustorChEBI
Manual XrefsDatabases
DBSALT001097DrugBank
D01069KEGG DRUG
Registry NumbersSources
CAS:92077-78-6ChemIDplus
Citations