Vorapaxar sulfate

ISO 17034:
Catalog Number : CS-O-11955
CAS Number : 705260-08-8
Status : Available for immediate dispatch
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Product Information

Product Name : Vorapaxar sulfate
Category : Metabolites
Purity : >98%
Molecular Weight : 590.66 mol/g
Molecular Formula : C₂₉H₃₃FN₂O₈S
Application : A metabolite of Vorapaxar.

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Status : Available for immediate dispatch
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Hazardous Compound : No

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References : "Boyle; J,; et al,:curr, Vac, Pharmcol,; 3; 63 (2005); Jennings; L,; et al,: Expert, Opin, Drug Metab, Toxcol,; 1; 727 (2005);chckalamannil; S,; et al,: J, Med,chem,; 49; 5389 (2006);"
Canonical SMILES : CCOC(=O)NC1CCC2C(C1)CC3C(C2C=CC4=NC=C(C=C4)C5=CC(=CC=C5)F)C(OC3=O)C.OS(=O)(=O)O
Isomeric SMILES : CCOC(=O)N[C@@H]1CC[C@@H]2[C@@H](C1)C[C@@H]3[C@H]([C@H]2/C=C/C4=NC=C(C=C4)C5=CC(=CC=C5)F)[C@H](OC3=O)C.OS(=O)(=O)O
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
InchIKey : NQRYCIGCIAWEIC-CKLVGUEFSA-N
IUPAC Name : ethyl N-[(1R,3aR,4aR,6R,8aR,9S,9aS)-9-[(E)-2-[5-(3-fluorophenyl)pyridin-2-yl]ethenyl]-1-methyl-3-oxo-3a,4,4a,5,6,7,8,8a,9,9a-decahydro-1H-benzo[f][2]benzofuran-6-yl]carbamate;sulfuric acid
Exact Mass : 590.20981541
Use Classification : Human drugs -> Zontivity -> EMA Drug Category
Hazard Class : Repr. 2 (100%)
Description : Vorapaxar sulfate is an 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. It has a role as a cardiovascular drug, a platelet aggregation inhibitor and a protease-activated receptor-1 antagonist. It contains a vorapaxar(1+).
EC Number : 686-297-3