Analyte Name

Avapritinib-d3

CAS Number

2408934-57-4

Molecular Formula

C26H24D3FN10

Molecular Weight

501.59

Accurate Mass

501.26

SMILES

C(N1C=C(C=2C=C3C(=NC=NN3C2)N4CCN(CC4)C=5N=CC([C@@](C)(N)C6=CC=C(F)C=C6)=CN5)C=N1)([2H])([2H])[2H]

InChI

InChI=1S/C26H27FN10/c1-26(28,20-3-5-22(27)6-4-20)21-13-29-25(30-14-21)36-9-7-35(8-10-36)24-23-11-18(16-37(23)33-17-31-24)19-12-32-34(2)15-19/h3-6,11-17H,7-10,28H2,1-2H3/t26-/m0/s1/i2D3

IUPAC

(S)-1-(4-fluorophenyl)-1-(2-(4-(6-(1-(methyl-d3)-1H-pyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl)piperazin-1-yl)pyrimidin-5-yl)ethan-1-amine

Unlabelled CAS Number

1703793-34-3

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Bioactive small molecule; Stable Isotope Labelled; API

Product Format

Neat