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citalopram
A nitrile that is 1,3-dihydro-2-benzofuran-5-carbonitrile in which one of the hydrogens at position 1 is replaced by a 4-fluorophenyl group, while the other is replaced by a 3-(dimethylamino)propyl group.


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03. Biological Effects of Specific Chemicals: pharmacological uses [CHEBI:52210] > neurotransmitter agent [CHEBI:35942] > serotonergic drug [CHEBI:48278] > serotonin uptake inhibitor [CHEBI:50949]
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03. Biological Effects of Specific Chemicals 
03. Biological Effects of Specific Chemicals
 pharmacological uses [CHEBI:52210] (736) 
 neurotransmitter agent [CHEBI:35942] (471) 
 serotonergic drug [CHEBI:48278] (109) 
 serotonin uptake inhibitor [CHEBI:50949] (21) 
 citalopram [CHEBI:3723] (1)
05. Industrial Uses 
05. Industrial Uses
 pharmaceutical [CHEBI:52217] (1978) 
 drug [CHEBI:23888] (1930) 
 central nervous system drug [CHEBI:35470] (217) 
 psychotropic drug [CHEBI:35471] (130) 
 antidepressant [CHEBI:35469] (44) 
 citalopram [CHEBI:3723] (1)
08. Chemical Category 
08. Chemical Category
 main group molecular entity [CHEBI:33579] (25650) 
 p-block molecular entity [CHEBI:33675] (25343) 
 halogen molecular entity [CHEBI:24471] (1475) 
 fluorine molecular entity [CHEBI:24062] (288) 
 organofluorine compound [CHEBI:37143] (275) 
 citalopram [CHEBI:3723] (3)
 halide [CHEBI:37578] (1402) 
 organohalogen compound [CHEBI:36684] (976) 
 organofluorine compound [CHEBI:37143] (275) 
 citalopram [CHEBI:3723] (3)
 pnictogen molecular entity [CHEBI:33302] (10027) 
 nitrogen molecular entity [CHEBI:51143] (7930) 
 organonitrogen compound [CHEBI:35352] (6705) 
 cyanides [CHEBI:23424] (120) 
 nitrile [CHEBI:18379] (117) 
 citalopram [CHEBI:3723] (3)
 chalcogen molecular entity [CHEBI:33304] (15225) 
 oxygen molecular entity [CHEBI:25806] (14414) 
 organooxygen compound [CHEBI:36963] (11352) 
 oxacycle [CHEBI:38104] (2002) 
 benzofurans [CHEBI:35259] (88) 
 2-benzofurans [CHEBI:38831] (19) 
 citalopram [CHEBI:3723] (3)
 organochalcogen compound [CHEBI:36962] (11874) 
 organooxygen compound [CHEBI:36963] (11352) 
 oxacycle [CHEBI:38104] (2002) 
 benzofurans [CHEBI:35259] (88) 
 2-benzofurans [CHEBI:38831] (19) 
 citalopram [CHEBI:3723] (3)
 carbon group molecular entity [CHEBI:33582] (23847) 
 organic molecular entity [CHEBI:50860] (23769) 
 heteroorganic entity [CHEBI:33285] (15197) 
 organic heterocyclic compound [CHEBI:24532] (5243) 
 oxacycle [CHEBI:38104] (2002) 
 benzofurans [CHEBI:35259] (88) 
 2-benzofurans [CHEBI:38831] (19) 
 citalopram [CHEBI:3723] (3)
 organic heteropolycyclic compound [CHEBI:38166] (2613) 
 benzofurans [CHEBI:35259] (88) 
 2-benzofurans [CHEBI:38831] (19) 
 citalopram [CHEBI:3723] (3)
 organonitrogen compound [CHEBI:35352] (6705) 
 cyanides [CHEBI:23424] (120) 
 nitrile [CHEBI:18379] (117) 
 citalopram [CHEBI:3723] (3)
 organohalogen compound [CHEBI:36684] (976) 
 organofluorine compound [CHEBI:37143] (275) 
 citalopram [CHEBI:3723] (3)
 organochalcogen compound [CHEBI:36962] (11874) 
 organooxygen compound [CHEBI:36963] (11352) 
 oxacycle [CHEBI:38104] (2002) 
 benzofurans [CHEBI:35259] (88) 
 2-benzofurans [CHEBI:38831] (19) 
 citalopram [CHEBI:3723] (3)
 organic molecule [CHEBI:72695] (11399) 
 organic cyclic compound [CHEBI:33832] (7633) 
 organic heterocyclic compound [CHEBI:24532] (5243) 
 oxacycle [CHEBI:38104] (2002) 
 benzofurans [CHEBI:35259] (88) 
 2-benzofurans [CHEBI:38831] (19) 
 citalopram [CHEBI:3723] (3)
 organic heteropolycyclic compound [CHEBI:38166] (2613) 
 benzofurans [CHEBI:35259] (88) 
 2-benzofurans [CHEBI:38831] (19) 
 citalopram [CHEBI:3723] (3)
 polyatomic entity [CHEBI:36357] (18777) 
 molecule [CHEBI:25367] (11520) 
 cyclic compound [CHEBI:33595] (7817) 
 polycyclic compound [CHEBI:33635] (4078) 
 heteropolycyclic compound [CHEBI:33671] (2613) 
 organic heteropolycyclic compound [CHEBI:38166] (2613) 
 benzofurans [CHEBI:35259] (88) 
 2-benzofurans [CHEBI:38831] (19) 
 citalopram [CHEBI:3723] (3)
 organic cyclic compound [CHEBI:33832] (7633) 
 organic heterocyclic compound [CHEBI:24532] (5243) 
 oxacycle [CHEBI:38104] (2002) 
 benzofurans [CHEBI:35259] (88) 
 2-benzofurans [CHEBI:38831] (19) 
 citalopram [CHEBI:3723] (3)
 organic heteropolycyclic compound [CHEBI:38166] (2613) 
 benzofurans [CHEBI:35259] (88) 
 2-benzofurans [CHEBI:38831] (19) 
 citalopram [CHEBI:3723] (3)
 heterocyclic compound [CHEBI:5686] (5275) 
 organic heterocyclic compound [CHEBI:24532] (5243) 
 oxacycle [CHEBI:38104] (2002) 
 benzofurans [CHEBI:35259] (88) 
 2-benzofurans [CHEBI:38831] (19) 
 citalopram [CHEBI:3723] (3)
 organic heteropolycyclic compound [CHEBI:38166] (2613) 
 benzofurans [CHEBI:35259] (88) 
 2-benzofurans [CHEBI:38831] (19) 
 citalopram [CHEBI:3723] (3)
 heteropolycyclic compound [CHEBI:33671] (2613) 
 organic heteropolycyclic compound [CHEBI:38166] (2613) 
 benzofurans [CHEBI:35259] (88) 
 2-benzofurans [CHEBI:38831] (19) 
 citalopram [CHEBI:3723] (3)
 organic molecule [CHEBI:72695] (11399) 
 organic cyclic compound [CHEBI:33832] (7633) 
 organic heterocyclic compound [CHEBI:24532] (5243) 
 oxacycle [CHEBI:38104] (2002) 
 benzofurans [CHEBI:35259] (88) 
 2-benzofurans [CHEBI:38831] (19) 
 citalopram [CHEBI:3723] (3)
 organic heteropolycyclic compound [CHEBI:38166] (2613) 
 benzofurans [CHEBI:35259] (88) 
 2-benzofurans [CHEBI:38831] (19) 
 citalopram [CHEBI:3723] (3)
 heteroatomic molecular entity [CHEBI:37577] (13672) 
 halide [CHEBI:37578] (1402) 
 organohalogen compound [CHEBI:36684] (976) 
 organofluorine compound [CHEBI:37143] (275) 
 citalopram [CHEBI:3723] (3)
ChEBI Compound Accession Identifier  [CHEBI:3723]
ChEBI Compound Description  A nitrile that is 1,3-dihydro-2-benzofuran-5-carbonitrile in which one of the hydrogens at position 1 is replaced by a 4-fluorophenyl group, while the other is replaced by a 3-(dimethylamino)propyl group.
ChEBI Compound Identification Number  3723
ChEBI InChI Value  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
ChEBI InChIKey Value  WSEQXVZVJXJVFP-UHFFFAOYSA-N
ChEBI Compound Name  citalopram
ChEBI SMILES Value  CN(C)CCCC1(OCc2cc(ccc12)C#N)c1ccc(F)cc1
ChEBI Substance ID  17425135
ChEBI URL  ChEBI:3723
ChemSpider ID  NS
Ontomatica Chemical Accession Key (OnChAKey)  WSEQXVZVJXJVFP_UHFFFAOYSA_N_000_000000
PubChem Compound ID  2771