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Product Overview

Product Code

TRC-P180503

Product Format

Neat

Molecular Formula

C21 D4 H19 N3 O2

Molecular Weight

353.451

Product Categories

TRC, Stable isotopes, API Reference Standards & Research Materials

Product Type

Stable Isotope Labelled, API

Unlabelled CAS Number

404950-80-7

Documentation

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Product Information

Chemical Data

Analyte Name

Panobinostat-d4

Molecular Formula

C21 D4 H19 N3 O2

Molecular Weight

353.451

Accurate Mass

353.204

SMILES

[2H]c1c([2H])c([2H])c2c(CCNCc3ccc(\C=C\C(=O)NO)cc3)c(C)[nH]c2c1[2H]

InChI

InChI=1S/C21H23N3O2/c1-15-18(19-4-2-3-5-20(19)23-15)12-13-22-14-17-8-6-16(7-9-17)10-11-21(25)24-26/h2-11,22-23,26H,12-14H2,1H3,(H,24,25)/b11-10+/i2D,3D,4D,5D

IUPAC

(E)-N-hydroxy-3-[4-[[2-(4,5,6,7-tetradeuterio-2-methyl-1H-indol-3-yl)ethylamino]methyl]phenyl]prop-2-enamide

Unlabelled CAS Number

404950-80-7

SIL Type

Deuterium

Product Data

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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