Return to Results Citalopram
CAS Registry Number®
59729-33-8
CAS Name
CitalopramMolecular Formula
C20H21FN2OMolecular Mass
324.39Cite this Page
Citalopram. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=59729-33-8 (retrieved ) (CAS RN: 59729-33-8). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Boiling Point (1)
178 °CMelting Point (2)
156-157 °C
Source(s)
- (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)
- (2) Zhang, Peng; Journal of Medicinal Chemistry, (2010), 53(16), 6112-6121, CAplus
Other Names and Identifiers
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
InChIKey
InChIKey=WSEQXVZVJXJVFP-UHFFFAOYSA-N
SMILES
C(CCN(C)C)C1(C=2C(CO1)=CC(C#N)=CC2)C3=CC=C(F)C=C3
Canonical SMILES
N#CC1=CC=C2C(=C1)COC2(C3=CC=C(F)C=C3)CCCN(C)C
Other Names for this Substance
- 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
- Citalopram
- Nitalapram
Deleted or Replaced CAS Registry Numbers
103146-27-6, 128196-03-2
