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Product Overview

Product Code

TRC-A430001

CAS Number

1079389-38-0

Product Format

Neat

Molecular Formula

C15 D3 H14 N O2

Molecular Weight

246.32

API Family

Agomelatine

Product Categories

TRC, Neurochemical Analytical Standards, API Reference Standards & Research Materials, Stable isotopes, Pharmaceutical Toxicology Reference Materials

Product Type

Stable Isotope Labelled, Bioactive Small Molecule, API

Alternate CAS Number

138112-76-2

Unlabelled CAS Number

138112-76-2

Documentation

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Product Information

Chemical Data

Analyte Name

Agomelatine-d3 (acetamide-2,2,2-d3)

CAS Number

1079389-38-0

Molecular Formula

C15 D3 H14 N O2

Molecular Weight

246.32

Accurate Mass

246.145

SMILES

[2H]C([2H])([2H])C(=O)NCCc1cccc2ccc(OC)cc12

InChI

InChI=1S/C15H17NO2/c1-11(17)16-9-8-13-5-3-4-12-6-7-14(18-2)10-15(12)13/h3-7,10H,8-9H2,1-2H3,(H,16,17)/i1D3

IUPAC

2,2,2-trideuterio-N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide

Alternate CAS Number

138112-76-2

Unlabelled CAS Number

138112-76-2

SIL Type

Deuterium

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

API; Stable Isotope Labelled

Product Format

Neat

API Family

Agomelatine

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