Analyte Name

Dasabuvir O-Trideuteromethyl-d3

Molecular Formula

C26 D3 H24 N3 O5 S

Molecular Weight

496.593

Accurate Mass

496.186

SMILES

[2H]C([2H])([2H])Oc1c(cc(cc1C(C)(C)C)N2C=CC(=O)NC2=O)c3ccc4cc(NS(=O)(=O)C)ccc4c3

InChI

InChI=1S/C26H27N3O5S/c1-26(2,3)22-15-20(29-11-10-23(30)27-25(29)31)14-21(24(22)34-4)18-7-6-17-13-19(28-35(5,32)33)9-8-16(17)12-18/h6-15,28H,1-5H3,(H,27,30,31)/i4D3

IUPAC

N-[6-[3-tert-butyl-5-(2,4-dioxopyrimidin-1-yl)-2-(trideuteriomethoxy)phenyl]naphthalen-2-yl]methanesulfonamide

Unlabelled CAS Number

1132935-63-7

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat