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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 12371059Generated: October 26, 2026

Chlorocitalopram, Hydrobromide

Chlorocitalopram, Hydrobromide · 1-(4-Chlorophenyl)-1-[3-(dimethylamino)propyl)-1,3-dihydro-5-isobenzofuran-5-carbonitrile hydrobromide · 1-(4-Chlorophenyl)-1-[3-(dimethylamino)propyl)-1,3-dihydro-5-isobenzofuran-5-carbonitrile, Hydrobromid

https://huagongshe.com/en/chemical/12371059

Chlorocitalopram, Hydrobromide molecular structure

Identifiers & Physical Properties

CAS No.64169-58-0
Molecular formulaC20H22BrClN2O
Average molar mass421.8 g/mol
Monoisotopic mass420.0604031 g/mol
SMILESBr.CN(C)CCCC1(c2ccc(Cl)cc2)OCc2cc(C#N)ccc21
InChIKeyUPXZASLAWCVOQT-UHFFFAOYSA-N
PubChem CID12371059
DTXSIDDTXSID80494822

Chemical & Physical Properties

Topological polar surface area36.3
Hydrogen bond donors1
Hydrogen bond acceptors3
Rotatable bonds5
Heavy atoms25
Formal charge0
Complexity466
Melting point87-89°C
Storage conditionsHygroscopic, -20°C Freezer, Under Inert Atmosphere
SolubilityMethanol (Slightly), Water (Slightly)
Physical stateSolid
ColorWhite to Orange
StabilityHygroscopic

Applications & Uses

Uses

An internal standard of Citalopram, an inhibitor of serotonin (5-HT) uptake.