Analyte Name

N-[(1,2-Dihydro-4,6-dimethyl-2-oxo-3-pyridinyl)methyl]-3-[ethyl[trans-4-[(2-methoxyethyl)methylamino]cyclohexyl]amino]-2-methyl-5-[3-(4-morpholinyl)-1-propyn-1-yl]-benzamide-d8

Molecular Formula

C35 D8 H43 N5 O4

Molecular Weight

613.86

Accurate Mass

613.444

SMILES

[2H]C1([2H])OC([2H])([2H])C([2H])([2H])N(CC#Cc2cc(N(CC)[C@@H]3CC[C@H](CC3)N(C)CCOC)c(C)c(c2)C(=O)NCC4=C(C)C=C(C)NC4=O)C1([2H])[2H]

InChI

InChI=1S/C35H51N5O4/c1-7-40(30-12-10-29(11-13-30)38(5)15-18-43-6)33-23-28(9-8-14-39-16-19-44-20-17-39)22-31(27(33)4)34(41)36-24-32-25(2)21-26(3)37-35(32)42/h21-23,29-30H,7,10-20,24H2,1-6H3,(H,36,41)(H,37,42)/t29-,30-/i16D2,17D2,19D2,20D2

IUPAC

N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl-[4-[2-methoxyethyl(methyl)amino]cyclohexyl]amino]-2-methyl-5-[3-(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)prop-1-ynyl]benzamide

Unlabelled CAS Number

1598383-40-4

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat