Veprisinium

Base Information

• Chemical Name: Veprisinium
• CAS No.: 79808-98-3
• Molecular Formula: C18H24 N O5
• Molecular Weight: 334.38686
• DSSTox Substance ID: DTXSID801000756
• Nikkaji Number: J2.775.774J
• Wikidata: Q27108527
• Metabolomics Workbench ID: 68184
• Mol file: 79808-98-3.mol

Synonyms:2-(1-hydroxy-1-methylethyl)-1-methyl-4,7,8-trimethoxy-2,3-dihydrofuro(2,3-b)quinolinium;veprisinium salt

Chemical Property of Veprisinium

Chemical Property:

• PSA: 69.92000
• LogP: 1.79560
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 334.16544787
• Heavy Atom Count: 24
• Complexity: 445

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C1CC2=C(C3=C(C(=C(C=C3)OC)OC)[N+](=C2O1)C)OC)O
• Isomeric SMILES: CC(C)([C@@H]1CC2=C(C3=C(C(=C(C=C3)OC)OC)[N+](=C2O1)C)OC)O