Name | Vorapaxar sulfate |
Iupac Chemical Name | Ethyl N-[(3R,3aS,4S,4aR,7R,8aR,9aR)-4-[(E)-2-[5-(3-fluorophenyl)-2-pyridyl]vinyl]-3-methyl-1-oxo-3a,4,4a,5,6,7,8,8a,9,9a-decahydro-3H-benzo[f]isobenzofuran-7-yl]carbamate sulfate |
Synonyms | SCH530348, SCH 530348, SCH-530348, Vorapaxar sulfate, Vorapaxar. |
Molecular Formula | C29H35FN2O8S |
Molecular Weight | 590.6634 |
Smile | S(=O)(=O)(O)O.FC=1C=C(C=CC1)C=1C=CC(=NC1)/C=C/[C@H]1[C@H]2[C@H](C[C@H]3C(O[C@@H]([C@@H]13)C)=O)C[C@@H](CC2)NC(OCC)=O |
InChiKey | 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 |
CAS Number | 705260-08-8 |
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