Vorapaxar D5

ISO 17034:
Catalog Number : CS-O-15171
CAS Number : 618385-01-6(Unlabeled)
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Product Information

Product Name : Vorapaxar D5
Category : Stable Isotopes
Purity : >98%
Synonyms : "(D5)ethyl N‐{9‐[(E)‐2‐[5‐(3‐fluorophenyl)pyridin‐2‐ yl]ethenyl]‐1‐methyl‐3‐oxo‐dodecahydronaphtho[2,3‐c]furan‐6‐yl}carbamate"
Molecular Weight : 497.61 mol/g
Molecular Formula : C29H28D5FN2O4
Application : "Labeled Vorapaxar, intended for use as an internal standard for the quantification of Vorapaxar by GC- or LC-mass spectrometry."

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Canonical SMILES : CCOC(=O)NC1CCC2C(C1)CC3C(C2C=CC4=NC=C(C=C4)C5=CC(=CC=C5)F)C(OC3=O)C
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
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
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
Exact Mass : 492.24243570
Use Classification : Human drugs -> Zontivity -> EMA Drug Category
Hazard Class : STOT SE 2 (100%)
Description : Vorapaxar is 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. It has a role as a protease-activated receptor-1 antagonist, a platelet aggregation inhibitor and a cardiovascular drug. It is a member of pyridines, a carbamate ester, an organofluorine compound, a naphthofuran and a lactone. It is a conjugate base of a vorapaxar(1+).
EC Number : 612-523-7
Toxicity Summary : There is an increased risk of bleeding and intracranial hemorrhage (ICH), which is why the use of vorapaxar is contraindicated in patients with a history of stroke, trans-ischemic attack (TIA), ICH, or active pathological bleeding such as peptic ulcer. Animal studies have suggested that there is a low probability of embryo/fetal toxicities, however there are no adequate and well-controlled studies describing use in pregnant women. Vorapaxar should also be avoided during breastfeeding as it is unknown whether vorapaxar or its metabolites are excreted in human milk, however it has been shown to be actively secreted in the milk of rats.

What are the Stable Isotopes of Vorapaxar ?

CAT NO. COMPOUND CAS NO. Category
CS-O-11956 Vorapaxar D5 Sulfate 705260-08-8 (Unlabeled) Vorapaxar Stable Isotopes