Product Code

TRC-N390952

CAS Number

2070015-31-3

Product Format

Neat

Molecular Formula

C30H26D6F6N4O

Molecular Weight

584.63

Product Categories

TRC, Stable isotopes, API Reference Standards & Research Materials

Product Type

Impurity, Stable Isotope Labelled

Unlabelled CAS Number

290297-26-6

Price and availability

48-hour USA dispatch time

Freight restricted.

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Product Information

Chemical Data

Analyte Name

Netupitant-d6

CAS Number

2070015-31-3

Molecular Formula

C30H26D6F6N4O

Molecular Weight

584.63

Accurate Mass

584.29

SMILES

O=C(C(C([2H])([2H])[2H])(C1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1)C([2H])([2H])[2H])N(C2=CN=C(C=C2C3=C(C=CC=C3)C)N4CCN(CC4)C)C

InChI

InChI=1S/C30H32F6N4O/c1-19-8-6-7-9-23(19)24-17-26(40-12-10-38(4)11-13-40)37-18-25(24)39(5)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)-N-methyl-2-(methyl-d3)-N-(6-(4-methylpiperazin-1-yl)-4-(o-tolyl)pyridin-3-yl)propanamide-3,3,3-d3

Unlabelled CAS Number

290297-26-6

SIL Type

Deuterium

Product Data

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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Netupitant-d6

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