Panamesine

Base Information

• Chemical Name: Panamesine
• CAS No.: 139225-22-2
• Molecular Formula: C23H26N2O6
• Molecular Weight: 426.4623
• UNII: 023D9E916L
• DSSTox Substance ID: DTXSID00160971
• Nikkaji Number: J871.770B
• Wikipedia: Panamesine
• Wikidata: Q27231486
• NCI Thesaurus Code: C66301
• Pharos Ligand ID: HPJZ97TY2DBJ
• ChEMBL ID: CHEMBL45686
• Mol file: 139225-22-2.mol

Synonyms:(5S)-5-((4-Hydroxy-4-(3,4-(methylenedioxy)phenyl)piperidino)methyl)-3-(p-methoxyphenyl)-2-oxazolidinone;5-(4-hydroxy-4-(1,3-benzodioxol-5-yl)piperidine-1-ylmethyl)-3-(4-methoxyphenyl)oxazolidine-2-one hydrochloride;EMD 57445;EMD-57445;panamesine

Chemical Property of Panamesine

Chemical Property:

• Vapor Pressure: 6.17E-16mmHg at 25°C
• Melting Point: 165 °C(Solv: ethanol (64-17-5); dichloromethane (75-09-2))
• Boiling Point: 614.1°Cat760mmHg
• PKA: 13.84±0.20(Predicted)
• Flash Point: 325.2°C
• PSA: 80.70000
• Density: 1.343g/cm³
• LogP: 2.73560
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 5
• Exact Mass: 426.17908655
• Heavy Atom Count: 31
• Complexity: 632

Purity/Quality:

99% ^*data from raw suppliers

Panamesine 99.74% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)N2CC(OC2=O)CN3CCC(CC3)(C4=CC5=C(C=C4)OCO5)O
• Isomeric SMILES: COC1=CC=C(C=C1)N2C[C@@H](OC2=O)CN3CCC(CC3)(C4=CC5=C(C=C4)OCO5)O