CHEBI:82600 - zofenopril calcium

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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.
Supplier Information
Download Molfile XML SDF
Wikipedia License
Waiting for wikipedia content
Read full article at Wikipedia
Formula C44H44CaN2O8S4
Net Charge 0
Average Mass 897.16700
Monoisotopic Mass 896.161
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[(2S,4S)-1-[(2S)-3-(benzoylsulfanyl)-2-methylpropanoyl]-4-(phenylsulfanyl)pyrrolidine-2-carboxylate]
Synonym Source
SQ 26991 ChemIDplus
Brand Name Source
Zoprace KEGG DRUG
Database Links 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 Waiting for 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