Pergularinine

Base Information

Chemical Name:Pergularinine
CAS No.:571-70-0
Molecular Formula:C₂₃H₂₅NO₄
Molecular Weight:379.456
Hs Code.:
NSC Number:100055
DSSTox Substance ID:DTXSID90972565
Nikkaji Number:J145.305J
Wikidata:Q82956350
Pharos Ligand ID:UBXAD1Q174PK
Metabolomics Workbench ID:133491
ChEMBL ID:CHEMBL398325
Mol file:571-70-0.mol

Synonyms:pergularinine

Suppliers and Price of Pergularinine

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
PERGULARININE 95.00%
5MG
$ 499.85

Total 5 raw suppliers

Chemical Property of Pergularinine

Chemical Property:

Vapor Pressure:1.08E-14mmHg at 25°C
Boiling Point:588.5°Cat760mmHg
Flash Point:309.7°C
PSA：51.16000
Density:1.31g/cm³
LogP:3.96810
XLogP3:3.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:379.17835828
Heavy Atom Count:28
Complexity:559

Purity/Quality:

99% ^*data from raw suppliers

PERGULARININE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC1=CC2=C(C=C1)C3=C(CN4CCCC4C3O)C5=CC(=C(C=C52)OC)OC
Isomeric SMILES:COC1=CC2=C(C=C1)C3=C(CN4CCC[C@H]4[C@@H]3O)C5=CC(=C(C=C52)OC)OC

Technology Process of Pergularinine

There total 2 articles about Pergularinine 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:

: C₂₃H₂₃NO₄

: 571-70-0,6799-27-5,52437-07-7,62181-70-8
(13aS,14S)-14-hydroxytylophorine

Guidance literature:: With sodium tetrahydroborate; In tetrahydrofuran; methanol; hexane; at -40 - 20 ℃; for 9h; stereoselective reaction; Inert atmosphere;
DOI:10.1002/ejoc.200900920