Analyte Name

Regorafenib (Pyridine)-N-oxide-d3

CAS Number

1333489-03-4

Molecular Formula

C21H12D3ClF4N4O4

Molecular Weight

501.83

Accurate Mass

501.09

SMILES

O=C(NC1=C(C=C(C=C1)OC2=CC=N(C(C(NC([2H])([2H])[2H])=O)=C2)=O)F)NC3=CC=C(C(C(F)(F)F)=C3)Cl

InChI

InChI=1S/C21H15ClF4N4O4/c1-27-19(31)18-10-13(6-7-30(18)33)34-12-3-5-17(16(23)9-12)29-20(32)28-11-2-4-15(22)14(8-11)21(24,25)26/h2-10H,1H3,(H,27,31)(H2,28,29,32)/i1D3

IUPAC

4-(4-(3-(4-chloro-3-(trifluoromethyl)phenyl)ureido)-3-fluorophenoxy)-2-((methyl-d3)carbamoyl)pyridine 1-oxide

Unlabelled CAS Number

835621-11-9

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled; Bioactive Small Molecule

Product Format

Neat