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InChI=1S/CH4O/c1-2/h2H,1H3
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> Main
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.
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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
(1
S
,9
S
)-
9-
{[(2
S
)-
1-
ethoxy-
1-
oxo-
4-
phenylbutan-
2-
yl]amino}-
10-
oxooctahydro-
6
H
-
pyridazino[1,2-
a
][1,2]diazepine-
1-
carboxylic acid—water (1/1)
Synonyms
Sources
(1
S
,9
S
)-
9-
{[(2
S
)-
1-
ethoxy-
1-
oxo-
4-
phenylbutan-
2-
yl]amino}-
10-
oxooctahydro-
6
H
-
pyridazino[1,2-
a
][1,2]diazepine-
1-
carboxylic acid hydrate
IUPAC
cilazapril
ChemIDplus
cilazapril hydrate
KEGG DRUG
cilazapril.H
2
O
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
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).