Simetride

Base Information

Chemical Name:Simetride
CAS No.:154-82-5
Molecular Formula:C₂₈H₃₈N₂O₆
Molecular Weight:498.62
Hs Code.:2933599090
UNII:QU6P2P8XLW
DSSTox Substance ID:DTXSID2057651
Nikkaji Number:J10.216D
Wikidata:Q27287491
NCI Thesaurus Code:C72129
ChEMBL ID:CHEMBL2104924
Mol file:154-82-5.mol

Synonyms:Simetride;154-82-5;Kyorin AP 2;AP 2;Simetridum;Simetrida;Simetride [INN:JAN];Simetridum [INN-Latin];Simetrida [INN-Spanish];1,4-Bis((2-methoxy-4-propylphenoxy)acetyl)piperazine;UNII-QU6P2P8XLW;QU6P2P8XLW;BRN 0772468;2-(2-methoxy-4-propylphenoxy)-1-[4-[2-(2-methoxy-4-propylphenoxy)acetyl]piperazin-1-yl]ethanone;Piperazine, 1,4-bis((2-methoxy-4-propylphenoxy)acetyl)-;DTXSID2057651;C28H38N2O6;Simetride (JAN);SIMETRIDE [JAN];1,4-Bis[(2-methoxy-4-propylphenoxy)acetyl]piperazine;Simetrid;SIMETRIDE [INN];SIMETRIDE [MI];SIMETRIDE [WHO-DD];Oprea1_600151;SCHEMBL25385;CHEMBL2104924;DTXCID3031440;CHEBI:134727;Tox21_113703;AKOS040754031;NCGC00249927-01;CAS-154-82-5;HY-117497;LS-110485;CS-0066232;D01962;Q27287491

Suppliers and Price of Simetride

Supply Marketing:

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

American Custom Chemicals Corporation
SIMETRIDE 95.00%
5MG
$ 499.90

Total 7 raw suppliers

Chemical Property of Simetride

Chemical Property:

Vapor Pressure:1.73E-18mmHg at 25°C
Melting Point:128-130° (FR M2936); mp 138.5-139° (Irikura, 1963)
Boiling Point:682.6°C at 760 mmHg
Flash Point:366.6°C
PSA：77.54000
Density:1.147g/cm³
LogP:3.61320
XLogP3:5
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:12
Exact Mass:498.27298694
Heavy Atom Count:36
Complexity:612

Purity/Quality:

99%, ^*data from raw suppliers

SIMETRIDE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCC1=CC(=C(C=C1)OCC(=O)N2CCN(CC2)C(=O)COC3=C(C=C(C=C3)CCC)OC)OC

Technology Process of Simetride

There total 1 articles about Simetride 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: