Heliotrin N-oxide

Base Information

• Chemical Name: Heliotrin N-oxide
• CAS No.: 6209-65-0
• Molecular Formula: C₁₆H₂₇NO₆
• Molecular Weight: 329.393
• DSSTox Substance ID: DTXSID50977677
• Mol file: 6209-65-0.mol

Synonyms:heliotrine N-oxide

Chemical Property of Heliotrin N-oxide

Chemical Property:

• PKA: 12.08±0.29(Predicted)
• PSA: 105.42000
• LogP: 0.29820
• XLogP3: -0.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 7
• Exact Mass: 329.18383758
• Heavy Atom Count: 23
• Complexity: 493

Purity/Quality:

97% ^*data from raw suppliers

HeliotrineN-Oxide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C(C(C)OC)(C(=O)OCC1=CC[N+]2(C1C(CC2)O)[O-])O
• Isomeric SMILES: C[C@@H]([C@@](C(C)C)(C(=O)OCC1=CC[N+]2([C@H]1[C@H](CC2)O)[O-])O)OC
• Uses: Heliotrine N-oxide is a derivative of Heliotrine (H235110), a monoester pyrrolizidine alkaloid that can be found in the seeds of Heliotropium indicum, one of the most widely used herbs in India. Heliotrine exhibits mutagenic activity and ganglion blocking activity.

Technology Process of Heliotrin N-oxide

There total 2 articles about Heliotrin N-oxide 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:

→ heliotrine N-oxide (6209-65-0,118332-96-0)

Guidance literature:

With ethanol; water; dihydrogen peroxide;

Reference yield:

Heliotrine (303-33-3,7728-12-3,10594-35-1,59532-50-2) → heliotrine N-oxide (6209-65-0,118332-96-0)

Guidance literature:

With dihydrogen peroxide;

DOI:10.1002/jms.2969

upstream raw materials:

Heliotrine

Refernces