Citalopram
Properties
- Molecular formula
- C20H21FN2O
- Molar mass
- 324.40 g/mol
- Exact mass
- 324.1638 Da
- Melting point
- 156–157 °C
- Boiling point
- 178 °C
- logP
- 3.81Crippen estimate
- Polar surface area
- 36.3 Ų
- H-bond donors / acceptors
- 0 / 3
- Rotatable bonds
- 5
Identifiers
CAS number
59729-33-8SMILES
CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(C#N)ccc21InChIKey
WSEQXVZVJXJVFP-UHFFFAOYSA-NInChI
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,3,10-11,14H2,1-2H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
10 names
- 5-Isobenzofurancarbonitrile, 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-
- 1-[3-(Dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-5-isobenzofurancarbonitrile
- Lu 10-171
- Nitalapram
- (±)-Citalopram
- 1-[3-(Dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydroisobenzofuran-5-carbonitrile
- Bonitrile
- 1-(3-Dimethylaminopropyl)-1-(4-fluorophenyl)-5-cyanophthalan
- Prepram
- 1-[3-(Dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile
Work with Citalopram
Predict the NMR spectrum1H and 13C shifts with multiplicities
Make a solutionWhat to weigh for any molarity and volume
Check drug-likenessLipinski, Veber and lead-likeness
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern