Isotrilobine

Base Information Edit

Chemical Name:Isotrilobine
CAS No.:26195-62-0
Molecular Formula:C₃₆H₃₆N₂O₅
Molecular Weight:576.692
Hs Code.:
UNII:WIB21F188O
ChEMBL ID:CHEMBL503241
Metabolomics Workbench ID:139875
Nikkaji Number:J16.928E
Wikidata:Q27292657
Mol file:26195-62-0.mol

Synonyms:ISOTRILOBINE;(+)-Isotrilobine;Isotrilobin;Homotrilobin;Homotrilobine;WIB21F188O;UNII-WIB21F188O;N-METHYLTRILOBINE;ISOTRILOBINE [MI];CHEMBL503241;SCHEMBL2996999;Q27292657;Oxyacanthan, 6',7-epoxy-6,12'-dimethoxy-2,2'-dimethyl-, (1'-alpha)-;2H-22,26-EPOXY-1,24:12,15-DIETHENO-6,10-METHENO-16H-PYRIDO(2',3':17,18)(1,10)DIOXACYCLOEICOSINO(2,3,4-IJ)ISOQUINOLINE, 3,4,4A,5,16A,17,18,19-OCTAHYDRO-9,21-DIMETHOXY-4,17-DIMETHYL-, (4AS,16AS)-

Suppliers and Price of Isotrilobine

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

Total 3 raw suppliers

Chemical Property of Isotrilobine Edit

Chemical Property:

Melting Point:215°
PKA:7.46±0.20(Predicted)
PSA：52.63000
Density:1.232±0.06 g/cm3(Predicted)
LogP:7.12670
XLogP3:6.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:2
Exact Mass:576.26242225
Heavy Atom Count:43
Complexity:960

Purity/Quality:: 99%, ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CN1CCC2=CC(=C3C4=C2C1CC5=CC=C(C=C5)OC6=C(C=CC(=C6)CC7C8=CC(=C(O3)C=C8CCN7C)O4)OC)OC
Isomeric SMILES:CN1CCC2=CC(=C3C4=C2[C@@H]1CC5=CC=C(C=C5)OC6=C(C=CC(=C6)C[C@H]7C8=CC(=C(O3)C=C8CCN7C)O4)OC)OC
Description This isomeride of the preceding alkaloid also occurs in Cocculus sarmentosus Diels and C. trilobus DC. It crystallizes in stellate clusters of colourless prisms and has [α]19D + 293°. The dihydrochloride also forms prisms, m.p. 310°C and the dimethiodide decomposes at 262°C. The base also contains two methoxyl groups and two methylimino groups and the corresponding methylmethine has m.p. 115°C and is optically inactive.

Technology Process of Isotrilobine

There total 7 articles about Isotrilobine 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: 15.0%