Analyte Name

Regorafenib N-Demethyl-N-4-(3-fluoro-4-methylphenoxy)-N-methyl-d3-picolinamide

Molecular Formula

C33H19D3ClF5N6O5

Molecular Weight

716.04

Accurate Mass

715.14

SMILES

ClC1=C(C(F)(F)F)C=C(NC(NC2=C(F)C=C(OC3=CC=NC(C(NC4=C(F)C=C(OC5=CC=NC(C(NC([2H])([2H])[2H])=O)=C5)C=C4)=O)=C3)C=C2)=O)C=C1

InChI

InChI=1S/C33H22ClF5N6O5/c1-40-30(46)28-15-20(8-10-41-28)49-18-3-6-26(24(35)13-18)44-31(47)29-16-21(9-11-42-29)50-19-4-7-27(25(36)14-19)45-32(48)43-17-2-5-23(34)22(12-17)33(37,38)39/h2-16H,1H3,(H,40,46)(H,44,47)(H2,43,45,48)/i1D3

IUPAC

4-(4-(3-(4-chloro-3-(trifluoromethyl)phenyl)ureido)-3-fluorophenoxy)-N-(2-fluoro-4-((2-((methyl-d3)carbamoyl)pyridin-4-yl)oxy)phenyl)picolinamide

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat