
|
Name: Vorapaxar sulfate CAS#: 705260-08-8 (sulfate) Chemical Formula: C29H35FN2O8S Exact Mass: Molecular Weight: 590.6634 Elemental Analysis: C, 58.97; H, 5.97; F, 3.22; N, 4.74; O, 21.67; S, 5.43 |
Technical Information |
Synonym: SCH530348, SCH 530348, SCH-530348, Vorapaxar sulfate, Vorapaxar 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 InChi Key: NQRYCIGCIAWEIC-CKLVGUEFSA-N InChi Code: 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 SMILES Code: O=C(OCC)N[CH](CC1)C[C](C[C]23[H])([H])[C]1([H])[CH](/C=C/C4=NC=C(C5=CC=CC(F)=C5)C=C4)[C]2([H])[CH](C)OC3=O |