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Citalopram N-oxide

Citalopram N-oxide structure

CAS No:
63284-72-0
Formula:
C20H21FN2O2
Chemical Name:
Citalopram N-oxide
Synonyms:
5-Isobenzofurancarbonitrile,1-[3-(dimethyloxidoamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-;5-Isobenzofurancarbonitrile,1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-,N1-oxide;1-[3-(Dimethyloxidoamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-5-isobenzofurancarbonitrile;Lu 11-305;Citalopram N-oxide
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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Description

White Solid

Citalopram N-oxide is an organic amino compound and a member of benzenes.

Citalopram N-oxide Basic Attributes

Molecular Weight：

340.3913432

Exact Mass：

340.39

DSSTox ID：

DTXSID50435141

Characteristics

PSA：

51.1

XLogP3：

1.11

Melting Point：

91-93°C

Storage Conditions：

Hygroscopic, -20°C Freezer, Under Inert Atmosphere

Safety Information

Precautionary statement(s)：

P264, P270, P301+P312, P330, P501

Hazard Statements：

H302

Drug Information

Metabolism/Metabolites：

Citalopram N-oxide is a known human metabolite of Citalopram.

Citalopram N-oxide Use and Manufacturing

A metabolite of Citalopram (CT)

Computed Properties

Molecular Weight:340.4
XLogP3:2.7
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:340.15870608
Monoisotopic Mass:340.15870608
Topological Polar Surface Area:51.1
Heavy Atom Count:25
Complexity:509
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes