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CHEBI:82600 - zofenopril calcium

ChEBI IDCHEBI:82600
ChEBI Namezofenopril calcium
Stars
DefinitionAn organic calcium salt that is the hemicalcium salt of zofenopril. A prodrug for zofenoprilat.
Last Modified31 July 2014
SubmitterSteve
DownloadsMolfile
Formula2C22H22NO4S2.Ca
Net Charge0
Average Mass897.188
Monoisotopic Mass896.16064
SMILESC[C@H](CSC(=O)c1ccccc1)C(=O)N1C[C@@H](Sc2ccccc2)C[C@H]1C(=O)[O-].C[C@H](CSC(=O)c1ccccc1)C(=O)N1C[C@@H](Sc2ccccc2)C[C@H]1C(=O)[O-].[Ca+2]
InChIInChI=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
InChIKeyNSYUKKYYVFVMST-LETVYOFWSA-L
Wikipedia
Roles Classification
Biological Roles:
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).
Applications:
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.
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).
vasodilator agent  A drug used to cause dilation of the blood vessels.
anticonvulsant  A drug used to prevent seizures or reduce their severity.
ChEBI Ontology
Outgoing Relation(s)
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 26991ChemIDplus
Brand Name  Source
ZopraceKEGG DRUG
Manual XrefsDatabases
D03767KEGG DRUG
ZofenoprilWikipedia
US2011028736Patent
US2011118328Patent
WO2007138352Patent
US2009176860Patent
CA2653333Patent
EP2041083Patent
Registry NumbersSources
Reaxys:6466976Reaxys
CAS:81938-43-4KEGG DRUG
CAS:81938-43-4ChemIDplus
Citations