Analyte Name

Vemurafenib-d5

CAS Number

1365986-90-8

Molecular Formula

C23 D5 H13 Cl F2 N3 O3 S

Molecular Weight

494.953

Accurate Mass

494.104

SMILES

[2H]C([2H])([2H])C([2H])([2H])CS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(cc23)c4ccc(Cl)cc4)c1F

InChI

InChI=1S/C23H18ClF2N3O3S/c1-2-9-33(31,32)29-19-8-7-18(25)20(21(19)26)22(30)17-12-28-23-16(17)10-14(11-27-23)13-3-5-15(24)6-4-13/h3-8,10-12,29H,2,9H2,1H3,(H,27,28)/i1D3,2D2

IUPAC

N-[3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]-2,2,3,3,3-pentadeuteriopropane-1-sulfonamide

Unlabelled CAS Number

918504-65-1

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Bioactive small molecule; Stable Isotope Labelled

Product Format

Neat