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> Main
CHEBI:82600 - zofenopril calcium
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ChEBI Ontology
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ChEBI Name
zofenopril calcium
ChEBI ID
CHEBI:82600
Definition
An organic calcium salt that is the hemicalcium salt of zofenopril. A prodrug for zofenoprilat.
Stars
This entity has been manually annotated by the ChEBI Team.
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Read full article at Wikipedia
Formula
C44H44CaN2O8S4
Net Charge
0
Average Mass
897.16700
Monoisotopic Mass
896.16064
InChI
InChI=1S/2C22H23NO4S2.Ca/c2*1-
15(14-
28-
22(27)
16-
8-
4-
2-
5-
9-
16)
20(24)
23-
13-
18(12-
19(23)
21(25)
26)
29-
17-
10-
6-
3-
7-
11-
17;/h2*2-
11,15,18-
19H,12-
14H2,1H3,(H,25,26)
;/q;;+2/p-
2/t2*15-
,18+,19+;/m11./s1
InChIKey
NSYUKKYYVFVMST-LETVYOFWSA-L
SMILES
[Ca++]
.C[C@H]
(CSC(=O)
c1ccccc1)
C(=O)
N1C[C@H]
(C[C@H]
1C([O-
]
)
=O)
Sc1ccccc1.C[C@H]
(CSC(=O)
c1ccccc1)
C(=O)
N1C[C@H]
(C[C@H]
1C([O-
]
)
=O)
Sc1ccccc1
Roles Classification
Biological Role
(s):
apoptosis inhibitor
Any substance that inhibits the process of apoptosis (programmed cell death) in multi-celled organisms.
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):
anticonvulsant
A drug used to prevent seizures or reduce their severity.
cardioprotective agent
Any protective agent that is able to prevent damage to the heart.
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.
vasodilator agent
A drug used to cause dilation of the blood vessels.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
zofenopril calcium (
CHEBI:82600
)
has part
zofenopril(1−) (
CHEBI:82601
)
zofenopril calcium (
CHEBI:82600
)
has role
anticonvulsant (
CHEBI:35623
)
zofenopril calcium (
CHEBI:82600
)
has role
apoptosis inhibitor (
CHEBI:68494
)
zofenopril calcium (
CHEBI:82600
)
has role
cardioprotective agent (
CHEBI:77307
)
zofenopril calcium (
CHEBI:82600
)
has role
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor (
CHEBI:35457
)
zofenopril calcium (
CHEBI:82600
)
has role
prodrug (
CHEBI:50266
)
zofenopril calcium (
CHEBI:82600
)
has role
vasodilator agent (
CHEBI:35620
)
zofenopril calcium (
CHEBI:82600
)
is a
organic calcium salt (
CHEBI:51031
)
IUPAC Name
calcium bis[(2
S
,4
S
)-
1-
[(2
S
)-
3-
(benzoylsulfanyl)-
2-
methylpropanoyl]-
4-
(phenylsulfanyl)pyrrolidine-
2-
carboxylate]
Synonym
Source
SQ 26991
ChemIDplus
Brand Name
Source
Zoprace
KEGG DRUG
Manual Xrefs
Databases
CA2653333
Patent
D03767
KEGG DRUG
EP2041083
Patent
US2009176860
Patent
US2011028736
Patent
US2011118328
Patent
WO2007138352
Patent
Zofenopril
Wikipedia
View more database links
Registry Numbers
Types
Sources
6466976
Reaxys Registry Number
Reaxys
81938-43-4
CAS Registry Number
KEGG DRUG
81938-43-4
CAS Registry Number
ChemIDplus
Citations
Types
Sources
2052527
PubMed citation
Europe PMC
2292772
PubMed citation
Europe PMC
2484083
PubMed citation
Europe PMC
2533220
PubMed citation
Europe PMC
8003543
PubMed citation
Europe PMC
8429112
PubMed citation
Europe PMC
Last Modified
31 July 2014