Analyte Name

Gilteritinib d5

Molecular Formula

C29H39D5N8O3

Molecular Weight

557.75

Accurate Mass

557.39

SMILES

NC(C1=NC(CC)=C(NC2([2H])C([2H])([2H])COCC2([2H])[2H])N=C1NC3=CC(OC)=C(N4CCC(N5CCN(C)CC5)CC4)C=C3)=O

InChI

InChI=1S/C29H44N8O3/c1-4-23-28(31-20-9-17-40-18-10-20)34-29(26(33-23)27(30)38)32-21-5-6-24(25(19-21)39-3)37-11-7-22(8-12-37)36-15-13-35(2)14-16-36/h5-6,19-20,22H,4,7-18H2,1-3H3,(H2,30,38)(H2,31,32,34)/i9D2,10D2,20D

IUPAC

6-Ethyl-3-[3-methoxy-4-[4-(4-methylpiperazin-1-yl)-1-piperidyl]anilino]-5-[(3,3,4,5,5-pentadeuteriotetrahydropyran-4-yl)amino]pyrazine-2-carboxamide

Unlabelled CAS Number

1254053-43-4

SIL Type

Deuterium

Country of Origin

CANADA

Product Format

Neat