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Product Overview

Product Code

TRC-D230352

CAS Number

1296212-29-7

Product Format

Neat

Molecular Formula

C26H16D7ClN2O3

Molecular Weight

453.97

Product Categories

Additional Neuro Products, TRC, Depression, Stable isotopes, API Reference Standards & Research Materials

Product Type

Stable Isotope Labelled, API, Synthesis tool

Alternate CAS Number

137973-76-3

Unlabelled CAS Number

137973-76-3

Product Information

Chemical Data

Analyte Name

5-Dehydro Tolvaptan-d7

CAS Number

1296212-29-7

Molecular Formula

C26H16D7ClN2O3

Molecular Weight

453.97

Accurate Mass

453.1837

SMILES

[2H]c1c([2H])c([2H])c(c(C(=O)Nc2ccc(C(=O)N3CCCC(=O)c4cc(Cl)ccc34)c(C)c2)c1[2H])C([2H])([2H])[2H]

InChI

InChI=1S/C26H23ClN2O3/c1-16-6-3-4-7-20(16)25(31)28-19-10-11-21(17(2)14-19)26(32)29-13-5-8-24(30)22-15-18(27)9-12-23(22)29/h3-4,6-7,9-12,14-15H,5,8,13H2,1-2H3,(H,28,31)/i1D3,3D,4D,6D,7D

IUPAC

N-[4-(7-chloro-5-oxo-3,4-dihydro-2H-1-benzazepine-1-carbonyl)-3-methylphenyl]-2,3,4,5-tetradeuterio-6-(trideuteriomethyl)benzamide

Alternate CAS Number

137973-76-3

Unlabelled CAS Number

137973-76-3

SIL Type

Deuterium

Product Data

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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5-Dehydro Tolvaptan-d7

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