Ticagrelor Metabolite-M8

ISO 17034:
Catalog Number : CS-O-05933
CAS Number : 220347-05-7
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Product Information

Product Name : Ticagrelor Metabolite-M8
Category : Metabolites
Purity : Not less than 95 %
Synonyms : Deshydroxyethoxy ticagrelor
Molecular Weight : 478.52 mol/g
Molecular Formula : C₂₁H₂₄F₂N₆O₃S
Application : Deshydroxyethoxy Ticagrelor analog of Ticagrelor an antiplatelet agent, and preventative in the treatment of heart attacks, myocardial infarction, and other pulmonary diseases.
Therapeutic : Anti-Thrombotics

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Status : Available for immediate dispatch
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Hazardous Compound : No

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References : European Medicines Agency. January 2011; Jacobson, Kenneth A.; Boeynaems, Jean-Marie (July 2010).
Canonical SMILES : CCCSC1=NC(=C2C(=N1)N(N=N2)C3CC(C(C3O)O)O)NC4CC4C5=CC(=C(C=C5)F)F
Isomeric SMILES : CCCSC1=NC(=C2C(=N1)N(N=N2)[C@@H]3C[C@@H]([C@H]([C@H]3O)O)O)N[C@@H]4C[C@H]4C5=CC(=C(C=C5)F)F
InChI : InChI=1S/C21H24F2N6O3S/c1-2-5-33-21-25-19(24-13-7-10(13)9-3-4-11(22)12(23)6-9)16-20(26-21)29(28-27-16)14-8-15(30)18(32)17(14)31/h3-4,6,10,13-15,17-18,30-32H,2,5,7-8H2,1H3,(H,24,25,26)/t10-,13+,14+,15-,17-,18+/m0/s1
InchIKey : XYLIQTKEYHWYGG-XUNGLMTJSA-N
IUPAC Name : (1S,2R,3S,4R)-4-[7-[[(1R,2S)-2-(3,4-difluorophenyl)cyclopropyl]amino]-5-propylsulfanyltriazolo[4,5-d]pyrimidin-3-yl]cyclopentane-1,2,3-triol
Exact Mass : 478.15986615