DEMETHYLCITALOPRAM

Base Information Edit

Chemical Name:DEMETHYLCITALOPRAM
CAS No.:144025-14-9
Molecular Formula:C19H19 F N2 O
Molecular Weight:310.371
Hs Code.:
European Community (EC) Number:802-945-1
UNII:68457TFE9P
DSSTox Substance ID:DTXSID001335276
Nikkaji Number:J2.448.864K
Wikidata:Q27264208
Mol file:144025-14-9.mol

Synonyms:5-Isobenzofurancarbonitrile,1-(4-fluorophenyl)-1,3-dihydro-1-[3-(methylamino)propyl]-, (S)-;(S)-(+)-N-Demethylcitalopram;(S)-1-(3-Methylaminopropyl)-1-(4-fluorophenyl)-1,3-dihydroisobenzofuran-5-carbonitrile;(S)-Desmethylcitalopram

Suppliers and Price of DEMETHYLCITALOPRAM

Supply Marketing:Edit

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Sigma-Aldrich
N-Desmethylcitalopram hydrochloride solution 1.0?mg/mL in methanol (as free base), ampule of 1?mL, certified reference material, Cerilliant?
1 mL
$ 150.00

Sigma-Aldrich
N-Desmethylcitalopram hydrochloride solution 1.0 mg/mL in methanol (as free base), ampule of 1 mL, certified reference material
047-1ml
$ 145.00

Medical Isotopes, Inc.
racDemethylCitalopramHCl
1 mg
$ 290.00

Total 11 raw suppliers

Chemical Property of DEMETHYLCITALOPRAM Edit

Chemical Property:

Melting Point:60-65°C
Boiling Point:429.4±45.0 °C(Predicted)
PKA:10.50±0.10(Predicted)
Flash Point:9℃
PSA：45.05000
Density:1.20±0.1 g/cm3(Predicted)
LogP:3.86168
Storage Temp.:Hygroscopic, -20?C Freezer, Under Inert Atmosphere
XLogP3:2.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:310.14814140
Heavy Atom Count:23
Complexity:440

Purity/Quality:

98%,99%, ^*data from raw suppliers

N-Desmethylcitalopram hydrochloride solution 1.0?mg/mL in methanol (as free base), ampule of 1?mL, certified reference material, Cerilliant? ^*data from reagent suppliers

Safty Information:

Pictogram(s): F,T
Hazard Codes:F,T
Statements: 11-23/24/25-39/23/24/25
Safety Statements: 16-36/37-45

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CNCCCC1(C2=C(CO1)C=C(C=C2)C#N)C3=CC=C(C=C3)F
Isomeric SMILES:CNCCC[C@@]1(C2=C(CO1)C=C(C=C2)C#N)C3=CC=C(C=C3)F
Uses N-Desmethylcitalopram hydrochloride is a metabolite of Citalopram, an inhibitor of serotonin (5-HT) uptake. Used as an antidepressant.

Technology Process of DEMETHYLCITALOPRAM

There total 23 articles about DEMETHYLCITALOPRAM which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 96.0%

: 219861-08-2
escitalopram oxalate

: 144025-14-9,144010-85-5
(+)-Desmethylcitalopram

Guidance literature:: escitalopram oxalate; With ammonium hydroxide; In ethyl acetate; for 0.5h;

With carbonochloridic acid 1-chloro-ethyl ester; In toluene; at 110 ℃; for 6h;
DOI:10.1016/j.bmc.2015.01.047

Reference yield: 70.0%

: 128196-01-0
escitalopram

: 817203-55-7
(S)-1-(3-chloropropyl)-1-(4-fluorophenyl)-1,3-dihydroisobenzofuran-5-carbonitrile

: 144025-14-9,144010-85-5
(+)-Desmethylcitalopram

Guidance literature:: escitalopram; With 2,2,2-Trichloroethyl chloroformate; In toluene; for 2h; Heating;

With potassium dihydrogenphosphate; zinc; In tetrahydrofuran; for 2h; Heating;
DOI:10.1002/jlcr.820