Analyte Name

N-Despropyl Macitentan-d4

Molecular Formula

C16 D4 H10 Br2 N6 O4 S

Molecular Weight

550.218

Accurate Mass

547.942

SMILES

[2H]C([2H])(Oc1ncc(Br)cn1)C([2H])([2H])Oc2ncnc(NS(=O)(=O)N)c2c3ccc(Br)cc3

InChI

InChI=1S/C16H14Br2N6O4S/c17-11-3-1-10(2-4-11)13-14(24-29(19,25)26)22-9-23-15(13)27-5-6-28-16-20-7-12(18)8-21-16/h1-4,7-9H,5-6H2,(H2,19,25,26)(H,22,23,24)/i5D2,6D2

IUPAC

5-(4-bromophenyl)-4-[2-(5-bromopyrimidin-2-yl)oxy-1,1,2,2-tetradeuterioethoxy]-6-(sulfamoylamino)pyrimidine

Unlabelled CAS Number

1103522-45-7

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Impurity; Stable Isotope Labelled

Product Format

Neat