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Product Overview

Product Code

TRC-P141025

CAS Number

1404053-60-6

Product Format

Neat

Molecular Formula

C39 H57 F N4 O5

Molecular Weight

680.89

API Family

Paliperidone

Product Categories

TRC, Impurity Reference Materials

Product Type

Impurity

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Product Information

Chemical Data

Analyte Name

Paliperidone Palmitate N-Oxide

CAS Number

1404053-60-6

Molecular Formula

C39 H57 F N4 O5

Molecular Weight

680.89

Accurate Mass

680.4313

SMILES

CCCCCCCCCCCCCCCC(=O)OC1CCCN2C(=O)C(=C(C)N=C12)CC[N+]3([O-])CCC(CC3)c4noc5cc(F)ccc45

InChI

InChI=1S/C39H57FN4O5/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-36(45)48-34-17-16-24-43-38(34)41-29(2)32(39(43)46)23-27-44(47)25-21-30(22-26-44)37-33-20-19-31(40)28-35(33)49-42-37/h19-20,28,30,34H,3-18,21-27H2,1-2H3

IUPAC

[3-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)-1-oxidopiperidin-1-ium-1-yl]ethyl]-2-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-9-yl] hexadecanoate

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

API Family

Paliperidone

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