Esmirtazapine

Base Information Edit

Chemical Name:Esmirtazapine
CAS No.:61337-87-9
Molecular Formula:C17H19 N3
Molecular Weight:265.358
Hs Code.:2933990090
European Community (EC) Number:262-714-0
UNII:4685R51V7M
DSSTox Substance ID:DTXSID001029320
Nikkaji Number:J279.597C
Wikipedia:Esmirtazapine
Wikidata:Q3058085
NCI Thesaurus Code:C76963
Metabolomics Workbench ID:149894
ChEMBL ID:CHEMBL1366933
Mol file:61337-87-9.mol

Synonyms:(N-methyl-11C)mirtazapine;(S)-Mirtazapine;6 Azamianserin;6-azamianserin;esmirtazapine;mirtazapine;Norset;ORG 3770;Org 50081;ORG-3770;ORG3770;Remergil;Remeron;Rexer;Zispin

Suppliers and Price of Esmirtazapine

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

TRC
S-Mirtazapine
10mg
$ 160.00

Total 9 raw suppliers

Chemical Property of Esmirtazapine Edit

Chemical Property:

Vapor Pressure:1.11E-07mmHg at 25°C
Boiling Point:432.4°C at 760 mmHg
Flash Point:215.3°C
PSA：19.37000
Density:1.22g/cm³
LogP:2.48180
Storage Temp.:-20°C Freezer
Solubility.:Chloroform (Slightly), Methanol (Slightly)
XLogP3:3.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:0
Exact Mass:265.157897619
Heavy Atom Count:20
Complexity:345

Purity/Quality:

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

S-Mirtazapine ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CN1CCN2C(C1)C3=CC=CC=C3CC4=C2N=CC=C4
Isomeric SMILES:CN1CCN2[C@H](C1)C3=CC=CC=C3CC4=C2N=CC=C4
Recent ClinicalTrials:Twenty-six Week Extension Trial of Org 50081 (Esmirtazapine) in Outpatients With Chronic Primary Insomnia (176003/P05721/MK-8265-007)
Recent EU Clinical Trials:A twenty-six weeks, open-label extension trial to evaluate safety and efficacy of Org 50081 in outpatients with chronic primary insomnia who completed clinical trial protocol 21106.
Uses S-Mirtazapine is an enantiomer of Mirtazapine (M365000); an antidepressant. R-Mirtazapine showed antinociceptive effects in acute thermal nociception, whereas S-Mirtazapine showed pronociceptive effects.

Technology Process of Esmirtazapine

There total 12 articles about Esmirtazapine 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: 100.0%

: 1071546-36-5
(14bS)-1,2,3,4,10,14b-Hexahydro-2-methylpyrazino[2,1-a]pyrido[2,3-c][2]benzazepin-10-ol

: 61337-87-9,61337-67-5,61364-37-2
(+)-Mirtazapine

Guidance literature:: (14bS)-1,2,3,4,10,14b-Hexahydro-2-methylpyrazino[2,1-a]pyrido[2,3-c][2]benzazepin-10-ol; With aluminum (III) chloride; lithium aluminium tetrahydride; In tetrahydrofuran; at 0 - 50 ℃; for 18.25h;

With sodium hydroxide; water; sodium tartrate; In tetrahydrofuran; at 0 ℃; pH=14; Product distribution / selectivity;

Reference yield: 84.0%

: 824954-89-4
2-[(2S)-4-methyl-2-phenyl-1-piperazinyl]-3-pyridinemethanol

: 61337-87-9,61337-67-5,61364-37-2
(+)-Mirtazapine

Guidance literature:: 2-[(2S)-4-methyl-2-phenyl-1-piperazinyl]-3-pyridinemethanol; With PPA; at 130 ℃; for 18h;

With sodium hydroxide; In water; ethyl acetate;