Ergocorninine

Base Information

Chemical Name:Ergocorninine
CAS No.:564-37-4
Molecular Formula:C31H39 N5 O5
Molecular Weight:561.681
Hs Code.:
European Community (EC) Number:209-273-2
UNII:6010ED1B7H
DSSTox Substance ID:DTXSID10891860
Nikkaji Number:J33.897D
Wikidata:Q27263132
Mol file:564-37-4.mol

Synonyms:ergocorine mesylate;ergocorine phosphate;ergocornine;ergocornine 2-maleate (1:1), (5'alpha)-isomer;ergocornine 2-maleate (2:1), (5'alpha)-isomer;ergocornine maleate;ergocornine methanesulfonate, (5'alpha)-isomer;ergocornine methyl sulfate, (5'alpha)-isomer;ergocornine monomethanesulfonate, (5'alpha)-isomer;ergocornine monomethanesulfonate, (5'alpha,8alpha)-isomer;ergocornine phosphate, (5'alpha)-isomer;ergocornine, (5'alpha,8alpha)-isomer;ergocorninine

Suppliers and Price of Ergocorninine

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
ERGOCORNININE 95.00%
5MG
$ 502.23

Total 10 raw suppliers

Chemical Property of Ergocorninine

Chemical Property:

Melting Point:228℃ (decomposition) (ethanol )
Refractive Index:1.7500 (estimate)
Boiling Point:628.48°C (rough estimate)
PKA:9.58±0.60(Predicted)
Flash Point:472.874oC
PSA：121.70000
Density:1.1897 (rough estimate)
LogP:2.69420
XLogP3:2.4
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:4
Exact Mass:561.29511936
Heavy Atom Count:41
Complexity:1170

Purity/Quality:

99% ^*data from raw suppliers

ERGOCORNININE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)C1C(=O)N2CCCC2C3(N1C(=O)C(O3)(C(C)C)NC(=O)C4CN(C5CC6=CNC7=CC=CC(=C67)C5=C4)C)O
Isomeric SMILES:CC(C)[C@H]1C(=O)N2CCC[C@H]2[C@]3(N1C(=O)[C@](O3)(C(C)C)NC(=O)[C@@H]4CN([C@@H]5CC6=CNC7=CC=CC(=C67)C5=C4)C)O
Uses 8-Isoergocornine is an ergot fungus alkaloid related to Ergocornine (E597350). It is a mycotoxin found in moldy food products.

Technology Process of Ergocorninine

There total 4 articles about Ergocorninine 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: