Analyte Name

(S)-Didemethyl Citalopram-d6 Hydrochloride

Molecular Formula

C18H11D6FN2O • HCl

Molecular Weight

338.74

Accurate Mass

338.15

SMILES

NC([2H])(C([2H])(C([2H])([C@@]1(C2=CC=C(C=C2CO1)C#N)C3=CC=C(C=C3)F)[2H])[2H])[2H].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/t18-;/m0./s1/i1D2,8D2,9D2;

IUPAC

(S)-1-(3-aminopropyl-1,1,2,2,3,3-d6)-1-(4-fluorophenyl)-1,3-dihydroisobenzofuran-5-carbonitrile hydrochloride

Alternate CAS Number

189865-88-0 for Racemic salt

Unlabelled CAS Number

Free Base: 166037-78-1; 1189694-81-2 for Racemic salt

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat