CHEBI:145568 - cilazapril monohydrate

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ChEBI Name cilazapril monohydrate
ChEBI ID CHEBI:145568
Definition A hydrate that is the monohydrate of cilazapril. It is used for the treatment of hypertension and heart failure.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information Selleckchem:cilazapril-monohydrate-inhibace
Download Molfile XML SDF
Formula C22H31N3O5.H2O
Net Charge 0
Average Mass 435.521
Monoisotopic Mass 435.23694
InChI InChI=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
InChIKey JQRZBPFGBRIWSN-YOTVLOEGSA-N
SMILES C1CC[C@@H](C(N2N1CCC[C@H]2C(=O)O)=O)N[C@H](C(OCC)=O)CCC3=CC=CC=C3.O
Roles Classification
Biological Role(s): 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).
Application(s): 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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Sources
(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 hydrate IUPAC
cilazapril ChemIDplus
cilazapril hydrate KEGG DRUG
cilazapril.H2O ChEBI
Ro 31-2848 monohydrate ChemIDplus
Brand Names Sources
Inhibace KEGG DRUG
Justor ChEBI
Manual Xrefs Databases
D01069 KEGG DRUG
DBSALT001097 DrugBank
View more database links
Registry Number Type Source
92077-78-6 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
1836986 PubMed citation Europe PMC
1839765 PubMed citation Europe PMC
Last Modified
28 January 2020
General Comment
2019-12-05 Note that the name 'cilazapril' is used to refer to the monohydrate as well as to anhydrous cilazapril (INN).