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Product Overview

Product Code

TRC-B279982

CAS Number

1246819-60-2

Product Format

Neat

Molecular Formula

C21H24D5NO2

Molecular Weight

332.49

Product Categories

TRC, Stable isotopes

Product Type

Stable Isotope Labelled, Bioactive Small Molecule

Unlabelled CAS Number

1004315-82-5

Documentation

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Product Information

Chemical Data

Analyte Name

3'-O-Benzyl-(1R)-hydroxy Tapentadol-d5

CAS Number

1246819-60-2

Molecular Formula

C21H24D5NO2

Molecular Weight

332.49

Accurate Mass

332.2512

SMILES

[2H]C([2H])([2H])C([2H])([2H])[C@@](O)([C@H](C)CN(C)C)c1cccc(OCc2ccccc2)c1

InChI

InChI=1S/C21H29NO2/c1-5-21(23,17(2)15-22(3)4)19-12-9-13-20(14-19)24-16-18-10-7-6-8-11-18/h6-14,17,23H,5,15-16H2,1-4H3/t17-,21-/m1/s1/i1D3,5D2

IUPAC

(3R,4R)-1,1,1,2,2-pentadeuterio-5-(dimethylamino)-4-methyl-3-(3-phenylmethoxyphenyl)pentan-3-ol

Unlabelled CAS Number

1004315-82-5

SIL Type

Deuterium

Product Data

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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