Analyte Name

6-(4-bromo-2-fluoroanilino)-7-fluoro-N-(2-hydroxyethoxy)-3-(trideuterio(113C)methyl)benzimidazole-5-carboxamide

Molecular Formula

13C C16 D3 H12 Br F2 N4 O3

Molecular Weight

445.238

Accurate Mass

444.052

SMILES

[2H][13C]([2H])([2H])n1cnc2c(F)c(Nc3ccc(Br)cc3F)c(cc12)C(=O)NOCCO

InChI

InChI=1S/C17H15BrF2N4O3/c1-24-8-21-16-13(24)7-10(17(26)23-27-5-4-25)15(14(16)20)22-12-3-2-9(18)6-11(12)19/h2-3,6-8,22,25H,4-5H2,1H3,(H,23,26)/i1+1D3

IUPAC

6-(4-bromo-2-fluoroanilino)-7-fluoro-N-(2-hydroxyethoxy)-3-(trideuterio(113C)methyl)benzimidazole-5-carboxamide

Unlabelled CAS Number

606143-89-9

SIL Type

Carbon, Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat