Citalopram

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Systematic / IUPAC Name: 1-[3-(Dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile

ID: Reference1010

Other Names: 1-(3-(Dimethylamino)propyl)-1-(p-fluorophenyl)-5-phthalancarbonitrile;
5-Isobenzofurancarbonitrile, 1-(3-(dimethylamino)propyl)-1-(4-fluorophenyl)-1,3-dihydro-;
5-Isobenzofurancarbonitrile, 1,3-dihydro-1-(3-(dimethylamino)propyl)-1-(4-fluorophenyl)-;
1-[3-(Dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-5-isobenzofurancarbonitrile;
Nitalapram ; more

Formula: C20H21FN2O

Class: Therapeutics/Prescription Drugs

Spectral Data

Citalopram mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments LTQ Orbitrap XL; Q Exactive Plus Orbitrap
No. of Spectral Trees 2
No. of Spectra 113
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 1/9/2015 9:49:27 AM
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Identificators

InChI InChI=1S/C20H21FN2O/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
InChI Key WSEQXVZVJXJVFP-UHFFFAOYSA-N
Canonical SMILES CN(C)CCCC1(C2=C(CO1)C=C(C=C2)C#N)C3=CC=C(C=C3)F
CAS
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Other Names 1-(3-(Dimethylamino)propyl)-1-(p-fluorophenyl)-5-phthalancarbonitrile;
5-Isobenzofurancarbonitrile, 1-(3-(dimethylamino)propyl)-1-(4-fluorophenyl)-1,3-dihydro-;
5-Isobenzofurancarbonitrile, 1,3-dihydro-1-(3-(dimethylamino)propyl)-1-(4-fluorophenyl)-;
1-[3-(Dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-5-isobenzofurancarbonitrile;
Nitalapram;
Cipram;
Cytalopram;
[3H]Citalopram

In Other Databases

PubChem 2771
ChemSpider 2669; 21230465; 21258745
HMDb HMDB05038
ChEBI CHEBI:77397
ChemIDPlus 059729338
Wikipedia Citalopram; Escitalopram
DrugBank APRD00147
ChEMBL CHEMBL549
KEGG C07572; D07704