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Product Overview

Product Code

TRC-P831730

CAS Number

1703748-89-3

Product Format

Neat

Molecular Formula

C31H35F6N4O5P

Molecular Weight

688.6

API Family

Fosnetupitant Chloride Hydrochloride

Product Categories

Additional Cancer Bioactive Molecules, TRC, API Reference Standards & Research Materials

Product Type

API

Documentation

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Product Information

Chemical Data

Analyte Name

Fosnetupitant

CAS Number

1703748-89-3

Molecular Formula

C31H35F6N4O5P

Molecular Weight

688.6

Accurate Mass

688.2249

SMILES

CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c2cnc(cc2c3ccccc3C)N4CC[N+](C)(COP(=O)(O)[O-])CC4

InChI

InChI=1S/C31H35F6N4O5P/c1-20-8-6-7-9-24(20)25-17-27(40-10-12-41(5,13-11-40)19-46-47(43,44)45)38-18-26(25)39(4)28(42)29(2,3)21-14-22(30(32,33)34)16-23(15-21)31(35,36)37/h6-9,14-18H,10-13,19H2,1-5H3,(H-,43,44,45)

IUPAC

[4-[5-[[2-[3,5-bis(trifluoromethyl)phenyl]-2-methylpropanoyl]-methylamino]-4-(2-methylphenyl)pyridin-2-yl]-1-methylpiperazin-1-ium-1-yl]methyl hydrogen phosphate

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

API Family

Fosnetupitant Chloride Hydrochloride

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