ChemicalBook--->CAS DataBase List--->85118-27-0

85118-27-0

85118-27-0 Structure

85118-27-0 Structure
IdentificationBack Directory
[Name]

Citalopram hydrochloride
[CAS]

85118-27-0
[Synonyms]

Einecs 285-680-9
citalopram hydrochloride
Citalopram hydrochloride CRS
Citalopram hydrochloride salt
2H6]-Citalopram hydrochloride salt
1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-3H-2-benzofuran-5-carbonitrile,hydrochloride
1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-5-isobenzofurancarbonitrile hydrochloride
1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydroisobenzofuran-5-carbonitrile monohydrochloride
1-(3-(Dimethylamino)propyl)-1-(4-fluorophenyl)-1,3-dihydroisobenzofuran-5-carbonitrile monohydrochloride
[EINECS(EC#)]

285-680-9
[Molecular Formula]

C20H22ClFN2O
[MOL File]

85118-27-0.mol
[Molecular Weight]

360.853
Chemical PropertiesBack Directory
[Appearance]

White or almost white, crystalline powder.
[storage temp. ]

2-8°C
[solubility ]

Very soluble in water, freely soluble in anhydrous ethanol.
[form ]

neat
[Stability:]

Hygroscopic
[Major Application]

pharmaceutical (small molecule)
[InChI]

1S/C20H21FN2O.ClH/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;1H
[InChIKey]

FXSXPIKCGLXHAW-UHFFFAOYSA-N
[SMILES]

Fc1ccc(cc1)C2(OCc3c2ccc(c3)C#N)CCCN(C)C.[Cl-].[H+]
[Uses]

Selective serotonin reuptake inhibitor; antidepressant.
Hazard InformationBack Directory
[Chemical Properties]

White or almost white, crystalline powder.
Safety DataBack Directory
[Signal word ]

Warning
[Hazard statements ]

H302
[Precautionary statements ]

P264-P270-P301+P312-P330-P501
[WGK Germany ]

WGK 3
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Oral
Aquatic Chronic 3
Repr. 2
STOT SE 3
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