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rac Didemethyl Citalopram-[d6] Hydrochloride

General Information
Catalog: BLP-004008
CAS: 1189865-88-0
Molecular Formula: C18H12D6ClFN2O
Molecular Weight: 338.84
Chemical Structure
rac Didemethyl Citalopram-[d6] Hydrochloride
Description Labelled metabolite of Citalopram. Citalopram is a selective inhibitor of the 5-hydroxytryptamine transporter (serotonin) and therefore is a potent and selective serotonin reuptake inhibitor.
Synonyms 1-(3-Aminopropyl-d6)-1-(4-fluorophenyl)-1,3-dihydro-5-isobenzofurancarbonitrile Hydrochloride; Didesmethylcitalopram-d6 Hydrochloride; Dinorcitalopram-d6 Hydrochloride; Lu 11-161-d6 Hydrochloride; rac-Didesmethylcitalopram-d6 Hydrochloride
IUPAC Name 1-(3-amino-1,1,2,2,3,3-hexadeuteriopropyl)-1-(4-fluorophenyl)-3H-2-benzofuran-5-carbonitrile;hydrochloride
Related CAS 1189694-81-2 (unlabelled)
Isomeric SMILES [2H]C([2H])(C1(C2=C(CO1)C=C(C=C2)C#N)C3=CC=C(C=C3)F)C([2H])([2H])C([2H])([2H])N.Cl
Canonical SMILES C1C2=C(C=CC(=C2)C#N)C(O1)(CCCN)C3=CC=C(C=C3)F.Cl
InChI InChI=1S/C18H17FN2O.ClH/c19-16-5-3-15(4-6-16)18(8-1-9-20)17-7-2-13(11-21)10-14(17)12-22-18;/h2-7,10H,1,8-9,12,20H2;1H/i1D2,8D2,9D2;
InChI Key ZPPDJHFUISDGTP-FJBJLJJHSA-N
Melting Point 42-50°C
Purity >98%
Solubility Soluble in Dichloromethane, Methanol
Appearance Light-brown Solid
Storage Store at-20°C

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