Analyte Name

Encorafenib d7

CAS Number

2413673-15-9

Molecular Formula

C22 H20 D7 Cl F N7 O4 S

Molecular Weight

547.05

SMILES

FC1=C(C=2C(=CN(C(C([2H])([2H])[2H])(C([2H])([2H])[2H])[2H])N2)C3=NC(NC[C@@H](NC(OC)=O)C)=NC=C3)C=C(Cl)C=C1NS(C)(=O)=O

InChI

InChI=1S/C22H27ClFN7O4S/c1-12(2)31-11-16(17-6-7-25-21(28-17)26-10-13(3)27-22(32)35-4)20(29-31)15-8-14(23)9-18(19(15)24)30-36(5,33)34/h6-9,11-13,30H,10H2,1-5H3,(H,27,32)(H,25,26,28)/t13-/m0/s1/i1D3,2D3,12D

SIL Type

Deuterium

Country of Origin

CANADA

Product Type

Stable Isotope Labelled; API

Product Format

Neat