Product Code

TRC-B276652

CAS Number

1217654-31-3

Product Format

Neat

Molecular Formula

C20H20D4FNO3S

Molecular Weight

381.5

Product Categories

TRC, Stable isotopes

Product Type

Stable Isotope Labelled, API

Unlabelled CAS Number

201855-71-2

Price and availability

48-hour USA dispatch time

Freight restricted.

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Product Information

Chemical Data

Analyte Name

trans 1-Benzyl-4-(4-fluorophenyl)-3-methylsulfonatepiperidine-d4

CAS Number

1217654-31-3

Molecular Formula

C20H20D4FNO3S

Molecular Weight

381.5

SMILES

[2H]C([2H])(OS(=O)(=O)C)[C@@H]1CN(Cc2ccccc2)C([2H])([2H])C[C@H]1c3ccc(F)cc3

InChI

InChI=1S/C20H24FNO3S/c1-26(23,24)25-15-18-14-22(13-16-5-3-2-4-6-16)12-11-20(18)17-7-9-19(21)10-8-17/h2-10,18,20H,11-15H2,1H3/t18-,20-/m0/s1/i12D2,15D2

IUPAC

[[(3S,4R)-1-benzyl-6,6-dideuterio-4-(4-fluorophenyl)piperidin-3-yl]-dideuteriomethyl] methanesulfonate

Unlabelled CAS Number

201855-71-2

SIL Type

Deuterium

Product Data

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

Product Description

Labelled Paroxetine intermediate.

References: Oefner, C., et al.: Chem. Biol., 6, 127

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trans 1-Benzyl-4-(4-fluorophenyl)-3-methylsulfonatepiperidine-d4

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