Analytenname

Vorapaxar-d5 Sulfate

Molekularformel

C29 D5 H28 F N2 O4 . H2 S O4

Molekulargewicht

595.691

Genaue Masse

595.241

SMILES

[2H]C([2H])([2H])C([2H])([2H])OC(=O)N[C@@H]1CC[C@@H]2[C@@H](C1)C[C@@H]3[C@@H]([C@@H](C)OC3=O)[C@H]2\C=C\c4ccc(cn4)c5cccc(F)c5.OS(=O)(=O)O

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/i1D3,3D2;

IUPAC

1,1,2,2,2-pentadeuterioethyl 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

Nicht gekennzeichnete CAS-Nummer

705260-08-8

SIL-Typ

Deuterium

Versandtemperatur

Room Temperature

Herkunftsland

CANADA

Produkttyp

Stable Isotope Labelled

Produktformat

Neat