Introduction：Basic information about CAS 59729-33-8|Citalopram, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| 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 | / | Flash Point | 212.8±28.7 °C |
|---|
Names
| Name | 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile |
|---|
| Synonym | More Synonyms |
|---|
Citalopram BiologicalActivity
| 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 DiseaseSignaling 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. |
|---|
Chemical & Physical Properties
| 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 |
|---|
Toxicological Information
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 DATAACUTE 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
|
Safety Information
| Hazard Codes | Xi |
|---|
| RIDADR | 3249 |
|---|
| Packaging Group | III |
|---|
| Hazard Class | 6.1(b) |
|---|
Synonyms
| 1-[3-(Dimethylamino)propyl]-1-(4-fluorophenyl)-5-phthalancarbonitrile |
| 5-isobenzofurancarbonitrile, 1-3-(dimethylamino)propyl-1-(4-fluorophenyl)-1,3-dihydro- |
| Cipram |
| Nitalapram |
| 1-[3-(Dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-5-isobenzofurancarbonitrile |
| Citalec |
| Citalopram |
| Lexapro |
| 1-[3-(Dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile |
| 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-3H-2-benzofuran-5-carbonitrile |
| Celexa |
| 5-Isobenzofurancarbonitrile, 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro- |
| 1-3-(dimethylamino)propyl-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile |
| MFCD00865398 |
| Citabax |
| Citalopramum |
| Ciprapine |
| Celapram |
| Citopam |
| EINECS 261-891-1 |
