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Product Overview

Product Code

TRC-T007222

CAS Number

1346598-84-2

Product Format

Neat

Molecular Formula

C14 D5 H18 N O4 S

Molecular Weight

306.433

Product Categories

TRC, Stable isotopes

Product Type

Impurity, Stable Isotope Labelled

Unlabelled CAS Number

1300037-87-9

Documentation

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Product Information

Chemical Data

Analyte Name

Tapentadol-d5 O-Sulfate

CAS Number

1346598-84-2

Molecular Formula

C14 D5 H18 N O4 S

Molecular Weight

306.433

Accurate Mass

306.166

SMILES

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

InChI

InChI=1S/C14H23NO4S/c1-5-14(11(2)10-15(3)4)12-7-6-8-13(9-12)19-20(16,17)18/h6-9,11,14H,5,10H2,1-4H3,(H,16,17,18)/t11-,14+/m0/s1/i1D3,5D2

IUPAC

[3-[(3R,4R)-1,1,1,2,2-pentadeuterio-5-(dimethylamino)-4-methylpentan-3-yl]phenyl] hydrogen sulfate

Unlabelled CAS Number

1300037-87-9

SIL Type

Deuterium

Product Data

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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