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CHEBI:83314 - vorapaxar sulfate

ChEBI IDCHEBI:83314
ChEBI Namevorapaxar sulfate
Stars
DefinitionAn organic sulfate salt obtained by combining vorapaxar with one molar equivalent of sulfuric acid. A protease-activated receptor-1 antagonist used for the reduction of thrombotic cardiovascular events in patients with a history of myocardial infarction (MI) or with peripheral arterial disease. It has been shown to reduce the rate of a combined endpoint of cardiovascular death, MI, stroke and urgent coronary revascularisation.
Last Modified15 October 2014
SubmitterSteve
DownloadsMolfile
FormulaC29H33FN2O4.H2O4S
Net Charge0
Average Mass590.670
Monoisotopic Mass590.20982
SMILESO=S(=O)(O)O.[H][C@@]12C[C@H](NC(=O)OCC)CC[C@@]1([H])[C@H](/C=C/c1ccc(-c3cccc(F)c3)cn1)[C@]1([H])[C@@H](C)OC(=O)[C@]1([H])C2
InChIInChI=1S/C29H33FN2O4.H2O4S/c1-3-35-29(34)32-23-10-11-24-20(14-23)15-26-27(17(2)36-28(26)33)25(24)12-9-22-8-7-19(16-31-22)18-5-4-6-21(30)13-18;1-5(2,3)4/h4-9,12-13,16-17,20,23-27H,3,10-11,14-15H2,1-2H3,(H,32,34);(H2,1,2,3,4)/b12-9+;/t17-,20+,23-,24-,25+,26-,27+;/m1./s1
InChIKeyNQRYCIGCIAWEIC-CKLVGUEFSA-N
Wikipedia
Roles Classification
Biological Role:
protease-activated receptor-1 antagonist  An antagonist at the protease-activated receptor-1.
Applications:
platelet aggregation inhibitor  A drug or agent which antagonizes or impairs any mechanism leading to blood platelet aggregation, whether during the phases of activation and shape change or following the dense-granule release reaction and stimulation of the prostaglandin-thromboxane system.
cardiovascular drug  A drug that affects the rate or intensity of cardiac contraction, blood vessel diameter or blood volume.
ChEBI Ontology
Outgoing Relation(s)
vorapaxar sulfate (CHEBI:83314) has part vorapaxar(1+) (CHEBI:83315)
vorapaxar sulfate (CHEBI:83314) has role cardiovascular drug (CHEBI:35554)
vorapaxar sulfate (CHEBI:83314) has role platelet aggregation inhibitor (CHEBI:50427)
vorapaxar sulfate (CHEBI:83314) has role protease-activated receptor-1 antagonist (CHEBI:83313)
vorapaxar sulfate (CHEBI:83314) is a organic sulfate salt (CHEBI:51337)
IUPAC Names 
2-[(E)-2-{(3R,3aS,4S,4aR,7R,8aR,9aR)-7-[(ethoxycarbonyl)amino]-3-methyl-1-oxododecahydronaphtho[2,3-c]furan-4-yl}ethenyl]-5-(3-fluorophenyl)pyridinium hydrogen sulfate
ethyl [(1R,3aR,4aR,6R,8aR,9S,9aS)-9-{(E)-2-[5-(3-fluorophenyl)pyridin-2-yl]ethenyl}-1-methyl-3-oxododecahydronaphtho[2,3-c]furan-6-yl]carbamate sulfate
Synonyms  Source
vorapaxar monosulfateChEBI
Sch 530348ChemIDplus
Brand Name  Source
ZONTIVITYKEGG DRUG
Manual XrefsDatabases
D09766KEGG DRUG
VorapaxarWikipedia
Registry NumbersSources
Reaxys:12646217Reaxys
CAS:705260-08-8ChemIDplus
Citations