Propantheline

Base Information

• Chemical Name: Propantheline
• CAS No.: 298-50-0
• Molecular Formula: C23H30NO3
• Molecular Weight: 294.39
• European Community (EC) Number: 206-063-2
• UNII: 1306V2B0Q8
• DSSTox Substance ID: DTXSID6047230
• Nikkaji Number: J5.464J
• Wikipedia: Propantheline_bromide
• Wikidata: Q3275451
• NCI Thesaurus Code: C78077
• Pharos Ligand ID: TG25ZPBNT9UQ
• Metabolomics Workbench ID: 43077
• ChEMBL ID: CHEMBL1180725
• Mol file: 298-50-0.mol

Synonyms:Bromide, Propantheline;Pro Banthine;Pro-Banthine;Probanthine;Propantheline;Propantheline Bromide

Chemical Property of Propantheline

Chemical Property:

• PKA: pKa 3.22(H2O) (Uncertain)
• PSA: 35.53000
• LogP: 4.73080
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 368.22256882
• Heavy Atom Count: 27
• Complexity: 474

Purity/Quality:

99.5% ^*data from raw suppliers

PROPANTHELINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Drug Classes: Anticholinergic Agents
• Canonical SMILES: CC(C)[N+](C)(CCOC(=O)C1C2=CC=CC=C2OC3=CC=CC=C13)C(C)C
• Uses: Anticholinergic. Propantheline is used for treating stomach ulcers.