Product Code

TRC-D292235

CAS Number

290296-72-9

Product Format

Neat

Molecular Formula

C29 H30 F6 N4 O

Molecular Weight

564.565

Product Categories

TRC

Product Type

Impurity

Price and availability

48-hour USA dispatch time

Freight restricted.

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Product Information

Chemical Data

Analyte Name

N-Desmethyl Netupitant

CAS Number

290296-72-9

Molecular Formula

C29 H30 F6 N4 O

Molecular Weight

564.565

Accurate Mass

564.232

SMILES

CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c2cnc(cc2c3ccccc3C)N4CCNCC4

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

IUPAC

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

Product Data

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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