Analyte Name

Netupitant N-Oxide-d6

Molecular Formula

C30 D6 H26 F6 N4 O2

Molecular Weight

600.628

Accurate Mass

600.281

SMILES

[2H]C([2H])([2H])C(C(=O)N(C)c1cnc(cc1c2ccccc2C)N3CCN(=O)(C)CC3)(c4cc(cc(c4)C(F)(F)F)C(F)(F)F)C([2H])([2H])[2H]

InChI

InChI=1S/C30H32F6N4O2/c1-19-8-6-7-9-23(19)24-17-26(39-10-12-40(5,42)13-11-39)37-18-25(24)38(4)27(41)28(2,3)20-14-21(29(31,32)33)16-22(15-20)30(34,35)36/h6-9,14-18H,10-13H2,1-5H3/i2D3,3D3

IUPAC

2-[3,5-bis(trifluoromethyl)phenyl]-3,3,3-trideuterio-N-methyl-N-[6-(4-methyl-4-oxo-1,4?5-diazinan-1-yl)-4-(2-methylphenyl)pyridin-3-yl]-2-(trideuteriomethyl)propanamide

Unlabelled CAS Number

910808-11-6

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat