Desmethylcitalopram

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

ID: Reference2019

Other Names: Monodesmethylcitalopram;
1-(4-Fluorophenyl)-1,3-dihydro-1-[3-(methylamino)propyl]isobenzofuran-5-carbonitrile;
N-Desmethyl escitalopram;
1-(4-Fluorophenyl)-1-(3-methylaminopropyl)-1,3-dihydroisobenzofuran-5-carbonitrile

Formula: C19H19FN2O

Class: Therapeutics/Prescription Drugs Sports Doping Drugs

Spectral Data

Desmethylcitalopram 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 Q Exactive Plus Orbitrap
No. of Spectral Trees 2
No. of Spectra 155
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 11/30/2018 8:56:21 AM
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Identificators

InChI InChI=1S/C19H19FN2O/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
InChI Key PTJADDMMFYXMMG-UHFFFAOYSA-N
Canonical SMILES CNCCCC1(C2=C(CO1)C=C(C=C2)C#N)C3=CC=C(C=C3)F
CAS 144010855
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Other Names Monodesmethylcitalopram;
1-(4-Fluorophenyl)-1,3-dihydro-1-[3-(methylamino)propyl]isobenzofuran-5-carbonitrile;
N-Desmethyl escitalopram;
1-(4-Fluorophenyl)-1-(3-methylaminopropyl)-1,3-dihydroisobenzofuran-5-carbonitrile

In Other Databases

KEGG C16608
ChEMBL CHEMBL1649
ChemSpider 142424
Wikipedia Desmethylcitalopram
ChemIDPlus 062498673
PubChem 162180
Cayman 15905