Analyte Name

N-Desmethyl Regorafenib-d3

Molecular Formula

C20H10D3ClF4N4O3

Molecular Weight

471.81

Accurate Mass

471.08

SMILES

O=C(NC1=CC=C(Cl)C(C(F)(F)F)=C1)NC2=C(F)C([2H])=C(OC3=CC=NC(C(N)=O)=C3)C([2H])=C2[2H]

InChI

InChI=1S/C20H13ClF4N4O3/c21-14-3-1-10(7-13(14)20(23,24)25)28-19(31)29-16-4-2-11(8-15(16)22)32-12-5-6-27-17(9-12)18(26)30/h1-9H,(H2,26,30)(H2,28,29,31)/i2D,4D,8D

IUPAC

4-(4-(3-(4-chloro-3-(trifluoromethyl)phenyl)ureido)-3-fluorophenoxy-2,5,6-d3)picolinamide

Unlabelled CAS Number

1343498-72-5

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Impurity; Stable Isotope Labelled

Product Format

Neat