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Product Overview

Product Code

CDN-D-7835

CAS Number

2748630-46-6

Product Format

Neat

Molecular Formula

C20 D4 H17 F3 N4 O . Cl H

Molecular Weight

430.8877

Product Categories

Stable isotopes, Nitrogen compounds

Product Type

Stable Isotope Labelled

Unlabelled CAS Number

147359-76-0

Purity

99 atom % D, min 98% Chemical Purity

Documentation

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Product Information

Analyte Data

Analyte Name

Flibanserin-D4 (ethylene-D4) Hydrochloride

CAS Number

2748630-46-6

Molecular Formula

C20 D4 H17 F3 N4 O . Cl H

Molecular Weight

430.8877

Accurate Mass

430.1685

SMILES

Cl.[2H]C([2H])(N1CCN(CC1)c2cccc(c2)C(F)(F)F)C([2H])([2H])N3C(=O)Nc4ccccc34

InChI

InChI=1S/C20H21F3N4O.ClH/c21-20(22,23)15-4-3-5-16(14-15)26-11-8-25(9-12-26)10-13-27-18-7-2-1-6-17(18)24-19(27)28;/h1-7,14H,8-13H2,(H,24,28);1H/i10D2,13D2;

IUPAC

3-[1,1,2,2-tetradeuterio-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-1H-benzimidazol-2-one;hydrochloride

Unlabelled CAS Number

147359-76-0

SIL Type

Deuterium

Product Data

Storage Temperature

Room Temperature

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

Purity

99 atom % D, min 98% Chemical Purity

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Analyte Data

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Flibanserin-d4 HCl (ethylene-d4)

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