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Product Overview

Product Code

TRC-C505013

Product Format

Neat

Molecular Formula

C22H19D4FN2O5

Molecular Weight

418.45

API Family

Escitalopram Oxalate

Product Categories

TRC, Stable isotopes, Stable Isotope Labelled Analytical Standards, Pharmaceutical Toxicology Reference Materials , API Reference Standards & Research Materials

Product Type

Bioactive small molecule, Stable Isotope Labelled, API

Alternate CAS Number

Free base: 128196-01-0

Unlabelled CAS Number

219861-08-2

Documentation

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Product Information

Chemical Data

Analyte Name

(S)-Citalopram-d4 Oxalate

Molecular Formula

C22H19D4FN2O5

Molecular Weight

418.45

SMILES

FC(C([2H])=C1[2H])=C([2H])C([2H])=C1[C@@]2(CCCN(C)C)C3=CC=C(C#N)C=C3CO2.O=C(O)C(O)=O

InChI

InChI=1S/C20H21FN2O.C2H2O4/c1-23(2)11-3-10-20(17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-24-20;3-1(4)2(5)6/h4-9,12H,3,10-11,14H2,1-2H3;(H,3,4)(H,5,6)/t20-;/m0./s1/i5D,6D,7D,8D;

IUPAC

(1S)-1-[3-(dimethylamino)propyl]-1-(2,3,5,6-tetradeuterio-4-fluorophenyl)-3H-2-benzofuran-5-carbonitrile;oxalic acid

Alternate CAS Number

Free base: 128196-01-0

Unlabelled CAS Number

219861-08-2

SIL Type

Deuterium

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

API Family

Escitalopram Oxalate

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