loading...| Preferred Name |
vorapaxar |
|
| Synonyms |
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 vorapaxar |
|
| Definitions |
A carbamate ester that is the ethyl ester of [(1R,3aR,4aR,6R,8aR,9S,9aS)-9-{(E)-2-[5-(3-fluorophenyl)pyridin-2-yl]ethynyl}-1-methyl-3-oxododecahydronaphtho[2,3-c]furan-6-yl]carbamic acid. A protease-activated receptor-1 antagonist used (as its sulfate salt) 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. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_82702 |
|
| charge |
0 |
|
| database_cross_reference |
Wikipedia:Vorapaxar PMID:23426761 PMID:25129064 PDBeChem:VPX KEGG:D09765 PMID:24211500 PMID:24750101 Drug_Central:4870 PMID:25138682 PMID:24962425 PMID:25012288 Reaxys:12646121 PMID:25262270 PMID:24402559 CAS:618385-01-6 PMID:23530022 PMID:24444781 PMID:23501976 PMID:24627331 PMID:24729713 PMID:23396280 PMID:24676931 |
|
| formula |
C29H33FN2O4 |
|
| has role |
http://purl.obolibrary.org/obo/CHEBI_50427 |
|
| has_exact_synonym |
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 |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
vorapaxar |
|
| has_RxCUI |
1537034 |
|
| id |
CHEBI:82702 |
|
| in_subset | ||
| inchi |
InChI=1S/C29H33FN2O4/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/h4-9,12-13,16-17,20,23-27H,3,10-11,14-15H2,1-2H3,(H,32,34)/b12-9+/t17-,20+,23-,24-,25+,26-,27+/m1/s1 |
|
| inchikey |
ZBGXUVOIWDMMJE-QHNZEKIYSA-N |
|
| is conjugate base of | ||
| label |
vorapaxar |
|
| mass |
492.58170 |
|
| monoisotopicmass |
492.24244 |
|
| notation |
CHEBI:82702 |
|
| prefixIRI |
CHEBI:82702 |
|
| prefLabel |
vorapaxar |
|
| smiles |
CCOC(=O)N[C@@H]1CC[C@@H]2[C@H](C[C@@H]3[C@@H]([C@@H](C)OC3=O)[C@H]2\C=C\c2ccc(cn2)-c2cccc(F)c2)C1 |
|
| textual definition |
A carbamate ester that is the ethyl ester of [(1R,3aR,4aR,6R,8aR,9S,9aS)-9-{(E)-2-[5-(3-fluorophenyl)pyridin-2-yl]ethynyl}-1-methyl-3-oxododecahydronaphtho[2,3-c]furan-6-yl]carbamic acid. A protease-activated receptor-1 antagonist used (as its sulfate salt) 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. |
|
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_37143 http://purl.obolibrary.org/obo/CHEBI_25000 http://purl.obolibrary.org/obo/CHEBI_26421 |