citalopram hydrobromide

1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-3H-2-benzofuran-5-carbonitrile;hydrobromide

CAS: 59729-32-7

Molecular Formula	`C20H22BrFN2O`
Molecular Weight	405.3 g/mol
Topological Polar Surface Area	36.3 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	4
Rotatable Bonds	5
Exact Mass	404.08994
Heavy Atoms	25
Complexity	466.0

Chemical Identifiers

CAS Number	59729-32-7
SMILES	`CN(C)CCCC1(C2=C(CO1)C=C(C=C2)C#N)C3=CC=C(C=C3)F.Br`
InChIKey	`WIHMBLDNRMIGDW-UHFFFAOYSA-N`

📖 Product Overview

citalopram hydrobromide (CAS: 59729-32-7) is a chemical compound with molecular formula C20H22BrFN2O and molecular weight 405.3 g/mol. Its IUPAC systematic name is 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-3H-2-benzofuran-5-carbonitrile;hydrobromide. Topological Polar Surface Area 36.3 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 4 Rotatable Bonds 5 Exact Mass 404.08994 Heavy Atoms 25 Complexity 466.0 InChI Key: WIHMBLDNRMIGDW-UHFFFAOYSA-N. SMILES: CN(C)CCCC1(C2=C(CO1)C=C(C=C2)C#N)C3=CC=C(C=C3)F.Br.

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