Vorapaxar sulfateProduct ingredient for Vorapaxar
- Name
- Vorapaxar sulfate
- Drug Entry
- Vorapaxar
Vorapaxar is a tricyclic himbacine-derived selective inhibitor of protease activated receptor (PAR-1) indicated for reducing the incidence of thrombotic cardiovascular events in patients with a history of myocardial infarction (MI) or with peripheral arterial disease (PAD). By inhibiting PAR-1, a thrombin receptor expressed on platelets, vorapaxar prevents thrombin-related platelet aggregation.
- Accession Number
- DBSALT001104
- Structure
- Synonyms
- Not Available
- External IDs
- SCH 530348 / SCH-530348 / SCH530348
- UNII
- IN66038E6C
- CAS Number
- 705260-08-8
- Weight
- Average: 590.66
Monoisotopic: 590.209815432 - Chemical Formula
- C29H35FN2O8S
- InChI Key
- NQRYCIGCIAWEIC-CKLVGUEFSA-N
- InChI
- InChI=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
- IUPAC Name
- ethyl N-[(1R,3aR,4aR,6R,8aR,9S,9aS)-9-[(1E)-2-[5-(3-fluorophenyl)pyridin-2-yl]ethenyl]-1-methyl-3-oxo-dodecahydronaphtho[2,3-c]furan-6-yl]carbamate; sulfuric acid
- SMILES
- OS(O)(=O)=O.[H][C@@]12C[C@]3([H])C[C@@H](CC[C@@]3([H])[C@H](\C=C\C3=CC=C(C=N3)C3=CC(F)=CC=C3)[C@]1([H])[C@@H](C)OC2=O)NC(=O)OCC
- External Links
- ChemSpider
- 8252667
- ChEBI
- 83314
- ChEMBL
- CHEMBL2107386
- Wikipedia
- Vorapaxar
- Predicted Properties
Property Value Source Water Solubility 0.000654 mg/mL ALOGPS logP 4.9 ALOGPS logP 5.04 Chemaxon logS -5.9 ALOGPS pKa (Strongest Acidic) 14.78 Chemaxon pKa (Strongest Basic) 4.32 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 77.52 Å2 Chemaxon Rotatable Bond Count 6 Chemaxon Refractivity 134.52 m3·mol-1 Chemaxon Polarizability 53.83 Å3 Chemaxon Number of Rings 5 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon