Trichodesmine

Base Information

• Chemical Name: Trichodesmine
• CAS No.: 548-90-3
• Molecular Formula: C18H27NO6
• Molecular Weight: 353.41
• DSSTox Substance ID: DTXSID50970148
• Wikidata: Q82953247
• ChEMBL ID: CHEMBL1573073
• Mol file: 548-90-3.mol

Synonyms:trichodesmine

Chemical Property of Trichodesmine

Chemical Property:

• Vapor Pressure: 3.21E-14mmHg at 25°C
• Melting Point: 160-161 °C (decomp)
• Boiling Point: 546.5°Cat760mmHg
• PKA: 12.19±0.60(Predicted)
• Flash Point: 284.3°C
• PSA: 20.23000
• Density: 1.29g/cm³
• LogP: 4.36600
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 1
• Exact Mass: 353.18383758
• Heavy Atom Count: 25
• Complexity: 617

Purity/Quality:

96% ^*data from raw suppliers

Trichodesmine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C1C(=O)OC2CCN3C2C(=CC3)COC(=O)C(C1(C)O)(C)O
• Isomeric SMILES: CC(C)[C@H]1C(=O)O[C@@H]2CCN3[C@@H]2C(=CC3)COC(=O)[C@]([C@]1(C)O)(C)O
• Uses: Trichodesmine is a pyrrolizidine alkaloid that has neurotoxic effects and is naturally found in Crotolaria argyptiaca, a shrub plant that is native to the south eastern desert of Egypt. Trichodesmine is also known to have toxic effects on pyrrole binding and Glutathione (G597951) metabolism in the rat.