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
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
KEGG Compound
C08197
ChemSpider
7950
ChEBI
179557
ChEMBL
CHEMBL54126
Wikipedia
Neostigmine
Predicted Properties
PropertyValueSource
Water Solubility0.016 mg/mLALOGPS
logP-2.4ALOGPS
logP-2.2Chemaxon
logS-4.3ALOGPS
Physiological Charge1Chemaxon
Hydrogen Acceptor Count1Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area29.54 Å2Chemaxon
Rotatable Bond Count3Chemaxon
Refractivity75.28 m3·mol-1Chemaxon
Polarizability25.11 Å3Chemaxon
Number of Rings1Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterNoChemaxon
Veber's RuleYesChemaxon
MDDR-like RuleNoChemaxon