Citalopram D4 HBr

Datasheet MSDS
Catalog Number
ALP1551
Product Name
Citalopram D4 HBr
Structure
Citalopram D4 HBr
CAS Number
1219803-58-3
IUPAC Name
1-[3-(dimethylamino)propyl]-1-(2,3,5,6-tetradeuterio-4-fluorophenyl)-3H-2-benzofuran-5-carbonitrile;hydrobromide
Synonyms
CitalopraM-d4HydrobroMideSalt; Citalopram-d4(hydrobromide); 1-[3-(Dimethylamino)propyl]-1-(4-fluorophenyl-d4)-1,3-dihydro-5-isobenzofurancarbonitrilehydrobromide; (±)-Citalopram-d4hydrobromide(4-fluorophenyl-d4); Citalopram-d4hydrobromideDISCONTINUEDPLEASESEEC505004
Molecular Formula
C20H17D4FN2O·HBr
Molecular Weight
409.33
Appearance
Off-White to Pale Yellow Solid
Purity
>95%
Melting Point
180-182°C
SMILES
[2H]C1=C(C(=C(C(=C1C2(C3=C(CO2)C=C(C=C3)C#N)CCCN(C)C)[2H])[2H])F)[2H].Br
InChI
InChI=1S/C20H21FN2O.BrH/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;/h4-9,12H,3,10-11,14H2,1-2H3;1H/i5D,6D,7D,8D;
InChI Key
WIHMBLDNRMIGDW-VBMPRCAQSA-N
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