Analyte Name

N-Desmethyl Netupitant-d6

Molecular Formula

C29 D6 H24 F6 N4 O

Molecular Weight

570.602

Accurate Mass

570.27

SMILES

[2H]C([2H])([2H])C(C(=O)N(C)c1cnc(cc1c2ccccc2C)N3CCNCC3)(c4cc(cc(c4)C(F)(F)F)C(F)(F)F)C([2H])([2H])[2H]

InChI

InChI=1S/C29H30F6N4O/c1-18-7-5-6-8-22(18)23-16-25(39-11-9-36-10-12-39)37-17-24(23)38(4)26(40)27(2,3)19-13-20(28(30,31)32)15-21(14-19)29(33,34)35/h5-8,13-17,36H,9-12H2,1-4H3/i2D3,3D3

IUPAC

2-[3,5-bis(trifluoromethyl)phenyl]-3,3,3-trideuterio-N-methyl-N-[4-(2-methylphenyl)-6-piperazin-1-ylpyridin-3-yl]-2-(trideuteriomethyl)propanamide

Unlabelled CAS Number

290296-72-9

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Impurity; Stable Isotope Labelled

Product Format

Neat