Diphemanil methylsulfate

Base Information

• Chemical Name: Diphemanil methylsulfate
• CAS No.: 62-97-5
• Molecular Formula: C20H24N^.CH3O4S
• Molecular Weight: 389.516
• European Community (EC) Number: 200-552-4
• NSC Number: 41725
• UNII: W2ZG23MGYI
• DSSTox Substance ID: DTXSID9022948
• Wikipedia: Diphemanil_metilsulfate
• Wikidata: Q5279732
• NCI Thesaurus Code: C65419
• ChEMBL ID: CHEMBL1200880
• Mol file: 62-97-5.mol

Synonyms:diphemanil methylsulfate;Prantal

Chemical Property of Diphemanil methylsulfate

Chemical Property:

• Melting Point: 194-195 °C
• PSA: 74.81000
• LogP: 4.49130
• Storage Temp.: Inert atmosphere,Store in freezer, under -20°C
• Water Solubility.: Soluble in water
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 389.16607952
• Heavy Atom Count: 27
• Complexity: 426

Purity/Quality:

99%, ^*data from raw suppliers

DiphemanilMethosulfate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C[N+]1(CCC(=C(C2=CC=CC=C2)C3=CC=CC=C3)CC1)C.COS(=O)(=O)[O-]
• Description: Diphemanil is a quaternary ammonium anticholinergic agent. It induces relaxation of isolated guinea pig trachea strips precontracted with methacholine (EC50 = 0.12 nM). Diphemanil reverses increases in lung resistance and decreases in dynamic lung compliance induced by the non-selective acetylcholine receptor agonist carbachol (carbamoylcholine; ) in vagotomized cats (ED50s = 17.5 and 19.3 μg/kg, respectively). It reduces salivation induced by the muscarinic acetylcholine receptor agonist pilocarpine in mice when administered subcutaneously at doses ranging from 1.25 to 10 mg/kg.
• Uses: Diphemanil Methosulfate is an anticholinergic agent; a synthetic quaternary ammonium compound with anitmuscarinic properties used in the treatment of Frey''s syndrome and is used as a parasympatholytic bronchodilator agent. Bronchodilatator;Anticholinergic
• Therapeutic Function: Spasmolytic