
IUPAC name
1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile
SMILES
CN(C)CCCC1(OCC2=C1C=CC(=C2)C#N)C1=CC=C(F)C=C1
Compound class
Antidepressive Agents, Second-Generation; Serotonin Uptake Inhibitors; Antidepressive Agents; Nervous System; Antidepressants; Psychoanaleptics; Selective Serotonin Reuptake Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP2C19 Inducers; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2B6 Inhibitors; CYP2B6 Inhibitors (strong); CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP2E1 Inhibitors; CYP2E1 Inducers; CYP2E1 Inducers (strong); CYP3A4 Inhibitors;
Therapeutic area
For the treatment of depression. Unlabeled indications include: treatment of mild dementia-associated agitation in nonpsychotic patients, smoking cessation, ethanol abuse, obsessive-compulsive disorder (OCD) in children, and diabetic neuropathy.
Common name
Citalopram
IUPAC name
1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile
SMILES
CN(C)CCCC1(OCC2=C1C=CC(=C2)C#N)C1=CC=C(F)C=C1
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
FORMULA
C20H21FN2O

Common name
Citalopram
IUPAC name
1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile
Molecular weight
324.392
clogP
4.787
clogS
-5.802
HBond Acceptor
3
HBond Donor
0
Total Polar Surface Area
36.26
Number of Rings
3
Rotatable Bond
6
Drug ID | Common name | Structure CAS | SMILE | Frequency |
---|---|---|---|---|
FDBF00007 | propane |
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C(C)C | 0.2412 |
FDBF00064 | N,N-dimethylmethanamine |
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N(C)(C)C | 0.0371 |
FDBF00066 | N-methylmethanamine |
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N(C)C | 0.0914 |
FDBF00289 | N,N-dimethylethanamine |
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C(C)N(C)C | 0.0299 |
FDBF00375 | (1R)-1-methyl-1,3-dihydroisobenzofuran-5-carbonitrile |
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CC1OCc2c1ccc(c2)C#N | 0.0007 |
FDBF00376 | (1R)-1-ethyl-1,3-dihydroisobenzofuran-5-carbonitrile |
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C(C1OCc2c1ccc(c2)C#N)C | 0.0007 |
FDBF00377 | N,N-dimethylpropan-1-amine |
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N(C)(C)CCC | 0.0113 |
FDBF00378 | fluorobenzene |
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Fc1ccccc1 | 0.0237 |
FDBF00379 | isobenzofuran-5-carbonitrile |
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o1cc2c(c1)cc(cc2)C#N | 0.0007 |