Laurolitsine

Base Information

• Chemical Name: Laurolitsine
• CAS No.: 5890-18-6
• Molecular Formula: C18H19NO4
• Molecular Weight: 313.353
• UNII: 5MT88IS14F
• DSSTox Substance ID: DTXSID30207641
• Nikkaji Number: J15.859C
• Wikidata: Q27135167
• Metabolomics Workbench ID: 64629
• ChEMBL ID: CHEMBL487388
• Mol file: 5890-18-6.mol

Synonyms:laurolitsine

Chemical Property of Laurolitsine

Chemical Property:

• Melting Point: 138-140oC
• Refractive Index: 1.5100 (estimate)
• Boiling Point: 553°Cat760mmHg
• PKA: 9.81±0.20(Predicted)
• Flash Point: 288.3°C
• PSA: 70.95000
• Density: 1.313
• LogP: 2.85370
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 313.13140809
• Heavy Atom Count: 23
• Complexity: 433

Purity/Quality:

≥98% ^*data from raw suppliers

Laurolitsine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=C2CC3C4=C(C2=C1)C(=C(C=C4CCN3)O)OC)O
• Isomeric SMILES: COC1=C(C=C2C[C@H]3C4=C(C2=C1)C(=C(C=C4CCN3)O)OC)O
• Description: This noraporphiae alkaloid has been obtained from Litsea japonica and Neolitsea sericea and swells at 11 5-8°C before melting. It is dextrorotatory with [o:lbl + 102.5° (EtOH) and yields a picrate as yellow needles, m.p. 212°C (dec.) and a picrolonate, m.p. 239°C (dec.). The N-methyl derivative is identical with boldine.
• Uses: Laurolitsine is an alkaloid extracted from Polyalthia longifolia var. pendula.