Analyte Name

Volasertib-D3 (N-methyl-D3)

Molecular Formula

C34 D3 H47 N8 O3

Molecular Weight

621.831

Accurate Mass

621.419

SMILES

[2H]C([2H])([2H])N1C(=O)[C@@H](CC)N(C(C)C)c2nc(Nc3ccc(cc3OC)C(=O)N[C@@H]4CC[C@H](CC4)N5CCN(CC6CC6)CC5)ncc12

InChI

InChI=1S/C34H50N8O3/c1-6-28-33(44)39(4)29-20-35-34(38-31(29)42(28)22(2)3)37-27-14-9-24(19-30(27)45-5)32(43)36-25-10-12-26(13-11-25)41-17-15-40(16-18-41)21-23-7-8-23/h9,14,19-20,22-23,25-26,28H,6-8,10-13,15-18,21H2,1-5H3,(H,36,43)(H,35,37,38)/t25-,26-,28-/

IUPAC

N-[4-[4-(cyclopropylmethyl)piperazin-1-yl]cyclohexyl]-4-[[(7R)-7-ethyl-6-oxo-8-propan-2-yl-5-(trideuteriomethyl)-7H-pteridin-2-yl]amino]-3-methoxybenzamide

Unlabelled CAS Number

755038-65-4

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat