API0232644
Vorapaxar Sulfate
Vorapaxar Sulfate is a PAR-1 antagonist and antiplatelet agent.
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CAS No.
705260-08-8
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Synonyms
VORAPAXAR SULFATE; 705260-08-8; Zontivity
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CHEMBL ID
CHEMBL2107386
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Compound CID
10077129
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Molecular Weight (g/mol)
590.7
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Molecular Formula
C29H35FN2O8S
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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
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InChIKey
NQRYCIGCIAWEIC-CKLVGUEFSA-N
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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
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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
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Exact Mass (Da)
590.20981541
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Monoisotopic Mass (Da)
590.20981541
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