Neostigmine

Base Information

• Chemical Name: Neostigmine
• CAS No.: 59-99-4
• Molecular Formula: C12H19N2O2
• Molecular Weight: 223.295
• UNII: 3982TWQ96G
• DSSTox Substance ID: DTXSID1023360
• Nikkaji Number: J4.797J
• Wikipedia: Neostigmine
• Wikidata: Q410546
• NCI Thesaurus Code: C75024
• RXCUI: 7315
• Pharos Ligand ID: 3Z543ANGP158
• Metabolomics Workbench ID: 43536
• ChEMBL ID: CHEMBL278020
• Mol file: 59-99-4.mol

Synonyms:Bromide, Neostigmine;Methylsulfate, Neostigmine;Neostigmine;Neostigmine Bromide;Neostigmine Methylsulfate;Polstigmine;Proserine;Prostigmin;Prostigmine;Prozerin;Synstigmin;Syntostigmine

Chemical Property of Neostigmine

Chemical Property:

• Refractive Index: 1.4760 (estimate)
• Boiling Point: 364.59°C (rough estimate)
• PSA: 29.54000
• Density: 1.0718 (rough estimate)
• LogP: 1.94370
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 223.144652853
• Heavy Atom Count: 16
• Complexity: 246

Purity/Quality:

98%Min ^*data from raw suppliers

Neostigmine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C)C(=O)OC1=CC=CC(=C1)[N+](C)(C)C
• Recent ClinicalTrials: Efficacy, Safety, and Pharmacokinetics of Sugammadex (MK-8616) for Reversal of Neuromuscular Blockade in Pediatric Participants Aged Birth to <2 Years (MK-8616-169)
• Recent EU Clinical Trials: A Prospective evaluation of the effect of a single dose of neostigmine in patients with patients with weak or absent esophageal peristalsis
• Recent NIPH Clinical Trials: Comparison of reversal with neostigmine vs. sugammadex for postoperative bowel function in patients undergoing colorectal surgery