Analyte Name

Resmetirom-d7

Molecular Formula

C17H5D7Cl2N6O4

Molecular Weight

442.26

Accurate Mass

441.07

SMILES

O=C1C(C([2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])=CC(OC2=C(Cl)C=C(N3N=C(C(NC3=O)=O)C#N)C=C2Cl)=NN1

InChI

InChI=1S/C17H12Cl2N6O4/c1-7(2)9-5-13(22-23-15(9)26)29-14-10(18)3-8(4-11(14)19)25-17(28)21-16(27)12(6-20)24-25/h3-5,7H,1-2H3,(H,23,26)(H,21,27,28)/i1D3,2D3,7D

IUPAC

2-(3,5-dichloro-4-((6-oxo-5-(propan-2-yl-d7)-1,6-dihydropyridazin-3-yl)oxy)phenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carbonitrile

SIL Type

Deuterium

Country of Origin

CANADA

Product Format

Neat