Product Code

TRC-C505027

CAS Number

1189652-54-7

Product Format

Neat

Molecular Formula

C20H15D6FN2O2

Molecular Weight

346.43

Product Categories

TRC, Stable isotopes

Product Type

Stable Isotope Labelled, Bioactive Small Molecule

Unlabelled CAS Number

63284-72-0

Price and availability

48-hour USA dispatch time

Freight restricted.

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Product Information

Chemical Data

Analyte Name

Citalopram-d6 N-Oxide

CAS Number

1189652-54-7

Molecular Formula

C20H15D6FN2O2

Molecular Weight

346.43

Accurate Mass

346.2

SMILES

[2H]C([2H])([2H])N(CCCC1(C2=CC=C(C=C2)F)C3=CC=C(C#N)C=C3CO1)(C([2H])([2H])[2H])=O

InChI

InChI=1S/C20H21FN2O2/c1-23(2,24)11-3-10-20(17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-25-20/h4-9,12H,3,10-11,14H2,1-2H3/i1D3,2D3

IUPAC

3-(5-cyano-1-(4-fluorophenyl)-1,3-dihydroisobenzofuran-1-yl)-N,N-bis(methyl-d3)propan-1-amine oxide

Unlabelled CAS Number

63284-72-0

SIL Type

Deuterium

Product Data

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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Citalopram-d6 N-Oxide

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