Analyte Name

Pemigatinib-D6

CAS Number

2649492-49-7

Molecular Formula

C24 D6 H21 F2 N5 O4

Molecular Weight

493.536

Accurate Mass

493.241

SMILES

[2H]C([2H])([2H])Oc1cc(OC([2H])([2H])[2H])c(F)c(N2Cc3cnc4[nH]c(CN5CCOCC5)cc4c3N(CC)C2=O)c1F

InChI

InChI=1S/C24H27F2N5O4/c1-4-30-21-14(11-27-23-16(21)9-15(28-23)13-29-5-7-35-8-6-29)12-31(24(30)32)22-19(25)17(33-2)10-18(34-3)20(22)26/h9-11H,4-8,12-13H2,1-3H3,(H,27,28)/i2D3,3D3

IUPAC

11-[2,6-difluoro-3,5-bis(trideuteriomethoxy)phenyl]-13-ethyl-4-(morpholin-4-ylmethyl)-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-12-one

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat