Citalopram

Modify Date: 2025-08-21 15:51:47

Citalopram structure	Common Name	Citalopram
	CAS Number	59729-33-8	Molecular Weight	324.392
	Density	1.2±0.1 g/cm3	Boiling Point	428.3±45.0 °C at 760 mmHg
	Molecular Formula	C₂₀H₂₁FN₂O	Melting Point	180 - 187ºC
	MSDS	N/A	Flash Point	212.8±28.7 °C

Use of Citalopram

Citalopram is marketed as a racemate mixture of the S(+)-enantiomer and R(-)-enantiomer and the active S(+)-enantiomer (Escitalopram) that possess inhibitory effects. Citalopram is an antidepressant and enhances serotoninergic neurotransmission through potent and selective inhibition of serotonin reuptake (selective serotonin reuptake inhibitor)[1][2].

Name	1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile
Synonym	More Synonyms

Description	Citalopram is marketed as a racemate mixture of the S(+)-enantiomer and R(-)-enantiomer and the active S(+)-enantiomer (Escitalopram) that possess inhibitory effects. Citalopram is an antidepressant and enhances serotoninergic neurotransmission through potent and selective inhibition of serotonin reuptake (selective serotonin reuptake inhibitor)[1][2].
Related Catalog	Research Areas >> Neurological Disease Signaling Pathways >> Neuronal Signaling >> Serotonin Transporter
References	[1]. Carlsson B, et al. Enantioselective analysis of citalopram and escitalopram in postmortem blood together with genotyping for CYP2D6 and CYP2C19. J Anal Toxicol. 2009;33(2):65-76. [2]. Milne RJ, et al. Citalopram. A review of its pharmacodynamic and pharmacokinetic properties, and therapeutic potential in depressive illness. Drugs. 1991;41(3):450-477.

Description

Related Catalog

Research Areas >> Neurological Disease

Signaling Pathways >> Neuronal Signaling >> Serotonin Transporter

References

[1]. Carlsson B, et al. Enantioselective analysis of citalopram and escitalopram in postmortem blood together with genotyping for CYP2D6 and CYP2C19. J Anal Toxicol. 2009;33(2):65-76.

[2]. Milne RJ, et al. Citalopram. A review of its pharmacodynamic and pharmacokinetic properties, and therapeutic potential in depressive illness. Drugs. 1991;41(3):450-477.

Density	1.2±0.1 g/cm3
Boiling Point	428.3±45.0 °C at 760 mmHg
Melting Point	180 - 187ºC
Molecular Formula	C₂₀H₂₁FN₂O
Molecular Weight	324.392
Flash Point	212.8±28.7 °C
Exact Mass	324.163788
PSA	36.26000
LogP	2.51
Vapour Pressure	0.0±1.0 mmHg at 25°C
Index of Refraction	1.591
InChIKey	WSEQXVZVJXJVFP-UHFFFAOYSA-N
SMILES	CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(C#N)ccc21
Storage condition	Store at RT

CHEMICAL IDENTIFICATION

RTECS NUMBER :: NP6313500

CHEMICAL NAME :: 5-Isobenzofurancarbonitrile, 1,3-dihydro-1-(3-(dimethylamino)propyl)-1-(4-fluoroph enyl)-

CAS REGISTRY NUMBER :: 59729-33-8

LAST UPDATED :: 199801

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C20-H21-F-N2-O

MOLECULAR WEIGHT :: 324.43

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Human - man

DOSE/DURATION :: 56 mg/kg

TOXIC EFFECTS :: Cardiac - arrhythmias (including changes in conduction)

REFERENCE :: LANCAO Lancet. (7 Adam St., London WC2N 6AD, UK) V.1- 1823- Volume(issue)/page/year: 348,339,1996

Hazard Codes	Xi
RIDADR	3249
Packaging Group	III
Hazard Class	6.1(b)

Precursor 9
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DownStream 4
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