Neostigmine bromideProduct ingredient for Neostigmine
- Name
- Neostigmine bromide
- 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
- DBSALT001191
- Structure
Structure for Neostigmine bromide (DBSALT001191)
- Synonyms
- Not Available
- UNII
- 005SYP50G5
- CAS Number
- 114-80-7
- Weight
- Average: 303.2
Monoisotopic: 302.062991 - Chemical Formula
- C12H19BrN2O2
- InChI Key
- LULNWZDBKTWDGK-UHFFFAOYSA-M
- InChI
- InChI=1S/C12H19N2O2.BrH/c1-13(2)12(15)16-11-8-6-7-10(9-11)14(3,4)5;/h6-9H,1-5H3;1H/q+1;/p-1
- IUPAC Name
- 3-[(dimethylcarbamoyl)oxy]-N,N,N-trimethylanilinium bromide
- SMILES
- [Br-].CN(C)C(=O)OC1=CC=CC(=C1)[N+](C)(C)C
- External Links
- KEGG Compound
- C08197
- ChemSpider
- 7950
- ChEBI
- 179557
- ChEMBL
- CHEMBL54126
- Wikipedia
- Neostigmine
- Predicted Properties
Property Value Source Water Solubility 0.016 mg/mL ALOGPS logP -2.4 ALOGPS logP -2.2 Chemaxon logS -4.3 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 3 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