Neostigmine methylsulfateProduct ingredient for Neostigmine
- Name
- Neostigmine methylsulfate
- Drug Entry
- Neostigmine
A cholinesterase inhibitor used in the treatment of myasthenia gravis and to reverse the effects of muscle relaxants such as gallamine and tubocurarine. Neostigmine, unlike physostigmine, does not cross the blood-brain barrier.
- Accession Number
- DBSALT000128
- Structure
- Synonyms
- Not Available
- UNII
- 98IMH7M386
- CAS Number
- 51-60-5
- Weight
- Average: 334.389
Monoisotopic: 334.119857136 - Chemical Formula
- C13H22N2O6S
- InChI Key
- OSZNNLWOYWAHSS-UHFFFAOYSA-M
- InChI
- InChI=1S/C12H19N2O2.CH4O4S/c1-13(2)12(15)16-11-8-6-7-10(9-11)14(3,4)5;1-5-6(2,3)4/h6-9H,1-5H3;1H3,(H,2,3,4)/q+1;/p-1
- IUPAC Name
- 3-[(dimethylcarbamoyl)oxy]-N,N,N-trimethylanilinium methyl sulfate
- SMILES
- COS([O-])(=O)=O.CN(C)C(=O)OC1=CC=CC(=C1)[N+](C)(C)C
- External Links
- KEGG Compound
- C08200
- PubChem Compound
- 5824
- ChemSpider
- 5619
- ChEBI
- 7516
- ChEMBL
- CHEMBL211471
- Wikipedia
- Neostigmine
- Predicted Properties
Property Value Source Water Solubility 0.0428 mg/mL ALOGPS logP -0.71 ALOGPS logP -2.2 Chemaxon logS -3.9 ALOGPS Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 1 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 29.54 Å2 Chemaxon Rotatable Bond Count 4 Chemaxon Refractivity 75.28 m3·mol-1 Chemaxon Polarizability 25.11 Å3 Chemaxon Number of Rings 1 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule Yes Chemaxon MDDR-like Rule No Chemaxon