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Citalopram hydrochloride

Citalopram hydrochloride structure

CAS No:
85118-27-0
Formula:
C20H21FN2O.ClH
Chemical Name:
Citalopram hydrochloride
Synonyms:
5-Isobenzofurancarbonitrile,1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-,hydrochloride (1:1);5-Isobenzofurancarbonitrile,1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-,monohydrochloride;(±)-Citalopram hydrochloride;Citalopram hydrochloride;1-[3-(Dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydroisobenzofuran-5-carbonitrile monohydrochloride;316121-47-8
Categories:
Analytical Chemistry > Standard

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Description

White or almost white, crystalline powder.

Citalopram hydrochloride Basic Attributes

Molecular Weight：

360.8528832

Exact Mass：

360.14000

EC Number：

285-680-9

HScode：

2932999099

Characteristics

PSA：

36.3

XLogP3：

4.61498

Boiling Point：

428.3ºC at 760 mmHg

Flash Point：

212.8ºC

Water Solubility：

Very soluble in water, freely soluble in anhydrous ethanol.

Safety Information

Precautionary statement(s)：

P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, P501

Hazard Statements：

H302

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P301+P312, P330, and P501|Aggregated GHS information provided by 56 companies from 4 notifications to the ECHA C&L Inventory.

Citalopram hydrochloride Use and Manufacturing

Selective serotonin reuptake inhibitor; antidepressant.

Computed Properties

Molecular Weight:360.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:360.1404692
Monoisotopic Mass:360.1404692
Topological Polar Surface Area:36.3
Heavy Atom Count:25
Complexity:466
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes