Bethanechol

Base Information

• Chemical Name: Bethanechol
• CAS No.: 674-38-4
• Molecular Formula: C7H17 N2 O2
• Molecular Weight: 161.22
• Hs Code.: 2924199090
• UNII: 004F72P8F4
• DSSTox Substance ID: DTXSID5048398
• Nikkaji Number: J7.089K
• Wikipedia: Bethanechol
• Wikidata: Q419059
• NCI Thesaurus Code: C76039
• RXCUI: 19257
• Pharos Ligand ID: LZMDLZWYVFM7
• Metabolomics Workbench ID: 145746
• ChEMBL ID: CHEMBL1482
• Mol file: 674-38-4.mol

Synonyms:Bethanechol;Bethanechol Chloride;Bethanecol;Chloride, Bethanechol;Duvoid;Hermes, Myo;Myo Hermes;Myocholine;Myotonachol;Myotonine;PMS Bethanechol Chloride;PMS-Bethanechol Chloride;Urecholine;Urocarb

Chemical Property of Bethanechol

Chemical Property:

• PSA: 52.32000
• LogP: 0.87670
• XLogP3: 0
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 161.129002789
• Heavy Atom Count: 11
• Complexity: 140

Purity/Quality:

98%Min ^*data from raw suppliers

Bethanechol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C[N+](C)(C)C)OC(=O)N
• Recent ClinicalTrials: Bethanechol Prior to Pancreatic Surgery