Isosetoclavine

Base Information Edit

Chemical Name:Isosetoclavine
CAS No.:519-11-9
Molecular Formula:C₁₆H₁₈N₂O
Molecular Weight:254.332
Hs Code.:
UNII:W6L8R44PP8
Nikkaji Number:J691.020C
Mol file:519-11-9.mol

Synonyms:Isosetoclavine;W6L8R44PP8;UNII-W6L8R44PP8;519-11-9;Ergolin-8-ol, 9,10-didehydro-6,8-dimethyl-, (8beta)-;ISOSETOCLAVIN;(+)-ISOSETOCLAVINE;J691.020C;9,10-DIDEHYDRO-6,8-DIMETHYLERGOLIN-8.BETA.-OL;ERGOLIN-8.BETA.-OL, 9,10-DIDEHYDRO-6,8-DIMETHYL-;ERGOLIN-8-OL, 9,10-DIDEHYDRO-6,8-DIMETHYL-, (8.BETA.)-

Suppliers and Price of Isosetoclavine

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
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price

Total 0 raw suppliers

Chemical Property of Isosetoclavine Edit

Chemical Property:

Melting Point:224 °C (decomp)
Boiling Point:473.6±45.0 °C(Predicted)
PSA：39.26000
Density:1.30±0.1 g/cm3(Predicted)
LogP:2.11030
XLogP3:2.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:0
Exact Mass:254.141913202
Heavy Atom Count:19
Complexity:421

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1(CN(C2CC3=CNC4=CC=CC(=C34)C2=C1)C)O
Isomeric SMILES:C[C@@]1(CN([C@@H]2CC3=CNC4=CC=CC(=C34)C2=C1)C)O

Technology Process of Isosetoclavine

There total 2 articles about Isosetoclavine 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: 38.0%