Citalopram
Citalopram Structure
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.
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 |
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 | |
| Splash | |
| 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 |