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Application Area
Environmental
Environmental

Stable isotope-labeled compounds are used as environmental pollutant standards for the detection of air, water, soil, sediment and food.

Clinical diagnostic
Clinical diagnostic

In addition to treating various diseases, isotopes are used for imaging, diagnosis, and newborn screening.

Organic Chemistry
Organic Chemistry

Small molecule compounds labeled with stable isotopes can be used as chemical reference for chemical identification, qualitative, quantitative, detection, etc. Various types of NMR solvents can be used to study the structure, reaction mechanism and reaction kinetics of compounds.

Metabolic Research
Metabolic Research

Stable isotope labeling allows researchers to study metabolic pathways in vivo in a safe manner.

rac Demethyl Citalopram-[d3] Hydrochloride

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General Information
Catalog: BLP-004002
CAS: 1189650-18-7
Molecular Formula: C19H17D3ClF2O
Molecular Weight: 349.84
Chemical Structure
rac Demethyl Citalopram-[d3] Hydrochloride
Description Rac Demethyl Citalopram-[d3] Hydrochloride is a labelled metabolite of Citalopram, and an inhibitor of serotonin (5-HT) uptake.
Synonyms 1-(4-Fluoro-phenyl)-1-[3-(methyl-d3)amino-propyl]-1,3-dihydro-isobenzofuran-5-carbonitrile Hydrochloride; 1-[3-(Methylamino-d3)propyl]-1-(4-fluorophenyl)-1,3-dihydroisobenzofuran-5-carbonitrile
IUPAC Name 1-(4-fluorophenyl)-1-[3-(trideuteriomethylamino)propyl]-3H-2-benzofuran-5-carbonitrile;hydrochloride
Related CAS 97743-99-2 (unlabelled) 1189490-71-8 (free base)
Isomeric SMILES [2H]C([2H])([2H])NCCCC1(C2=C(CO1)C=C(C=C2)C#N)C3=CC=C(C=C3)F.Cl
Canonical SMILES CNCCCC1(C2=C(CO1)C=C(C=C2)C#N)C3=CC=C(C=C3)F.Cl
InChI InChI=1S/C19H19FN2O.ClH/c1-22-10-2-9-19(16-4-6-17(20)7-5-16)18-8-3-14(12-21)11-15(18)13-23-19;/h3-8,11,22H,2,9-10,13H2,1H3;1H/i1D3;
InChI Key DYIZNULSIBGJPJ-NIIDSAIPSA-N
Melting Point 78-80°C
Purity ≥99%
Solubility Soluble in Chloroform (Slightly), Methanol (Slightly), Water (Slightly)
Appearance White to Pale Yellow Solid
Storage Hygroscopic,-20°C, Under inert atmosphere
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