Doxepin

Base Information Edit

Chemical Name:Doxepin
CAS No.:1668-19-5
Molecular Formula:C₁₉H₂₁NO
Molecular Weight:279.382
Hs Code.:2932999099
DSSTox Substance ID:DTXSID7022966
Wikipedia:Doxepin
NCI Thesaurus Code:C65475
RXCUI:3638
Pharos Ligand ID:VP4RLQQ46AKP
ChEMBL ID:CHEMBL1628227
Mol file:1668-19-5.mol

Synonyms:Apo Doxepin;Apo-Doxepin;ApoDoxepin;Aponal;Deptran;Desidox;Doneurin;Doxepia;Doxepin;Doxepin beta;Doxepin Hydrochloride;Doxepin Hydrochloride, Cis-Trans Isomer Mixture (approximately 1:5);Doxepin RPh;Doxepin-RPh;Espadox;Hydrochloride, Doxepin;Mareen;Novo Doxepin;Novo-Doxepin;Prudoxin;Quitaxon;Sinequan;Sinquan;Xepin;Zonalon

Suppliers and Price of Doxepin

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

Medical Isotopes, Inc.
Doxepin hydrochloride
5 g
$ 290.00

Medical Isotopes, Inc.
Doxepin hydrochloride
1 g
$ 90.00

Crysdot
3-(Dibenzo[b,e]oxepin-11(6H)-ylidene)-N,N-dimethylpropan-1-amine 95+%
1g
$ 470.00

American Custom Chemicals Corporation
DOXEPIN 95.00%
1G
$ 1004.85

Total 27 raw suppliers

Chemical Property of Doxepin Edit

Chemical Property:

Appearance/Colour:white crystalline solid
Vapor Pressure:4.87E-07mmHg at 25°C
Melting Point:187-189°C
Refractive Index:1.5000 (estimate)
Boiling Point:413.3 °C at 760 mmHg
PKA:9.40±0.28(Predicted)
Flash Point:121.3 °C
PSA：12.47000
Density:1.122 g/cm³
LogP:3.96240
Storage Temp.:Store at RT
Water Solubility.:31.57mg/L(25 oC)
XLogP3:4.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:279.162314293
Heavy Atom Count:21
Complexity:363

Purity/Quality:

98% up, ^*data from raw suppliers

Doxepin hydrochloride ^*data from reagent suppliers

Safty Information:

Pictogram(s): T
Hazard Codes:T
Statements: 25
Safety Statements: 36/37/39-45

MSDS Files:

Useful:

Drug Classes:Antidepressant Agents
Canonical SMILES:CN(C)CCC=C1C2=CC=CC=C2COC3=CC=CC=C31
Recent ClinicalTrials:Characterization of New Human Models of Non-histaminergic Itch and Their Interaction With the TRPM8 Receptor
Recent EU Clinical Trials:Pharmacovigilance in children and adolescents:
Uses Used clinically to treat anxiety and depression. Antidepressant
Therapeutic Function Tranquilizer

Technology Process of Doxepin

There total 31 articles about Doxepin 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: 93.0%

: 22684-91-9
doxepin N-oxide

: 1668-19-5,3607-18-9,3607-34-9
doxepin

Guidance literature:: With sodium tetrahydroborate; In water; at 50 - 60 ℃; chemoselective reaction;
DOI:10.1016/j.tetlet.2010.08.045

Reference yield: 76.57%

: 4504-87-4
6,11-dihydrodibenz[b,e]oxepin-11-one

: 79333-82-7
diethyl 3-(N,N-dimethylamino)propylphosphonate

: 1668-19-5,3607-18-9,3607-34-9
doxepin

Guidance literature:: diethyl 3-(N,N-dimethylamino)propylphosphonate; With sodium hydride; In tetrahydrofuran; at -40 ℃; for 0.5h; Inert atmosphere;

6,11-dihydrodibenz[b,e]oxepin-11-one; In tetrahydrofuran; at -40 ℃; for 12h; Reagent/catalyst; Temperature; Inert atmosphere;

Reference yield: 74.52%

: 4504-87-4
6,11-dihydrodibenz[b,e]oxepin-11-one

: 83300-00-9
chlorure de N,N-dimethylamino-3 propyltriphenylphosphonium

: 1668-19-5,3607-18-9,3607-34-9
doxepin

Guidance literature:: chlorure de N,N-dimethylamino-3 propyltriphenylphosphonium; With potassium tert-butylate; In tetrahydrofuran; at 0 ℃; for 0.5h; Inert atmosphere;

6,11-dihydrodibenz[b,e]oxepin-11-one; In tetrahydrofuran; at 0 ℃; for 18h; Temperature; Reagent/catalyst; Inert atmosphere;