neostigmine

Ligand id: 8993

Name: neostigmine

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 0
Rotatable bonds 4
Topological polar surface area 29.54
Molecular weight 223.14
XLogP 1.76
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Approved drug? Yes (FDA)
IUPAC Name
[3-(dimethylcarbamoyloxy)phenyl]-trimethylazanium
International Nonproprietary Names
INN number INN
401 neostigmine bromide
Synonyms
Prostigmin®
Database Links
BindingDB Ligand 50022775
CAS Registry No. 59-99-4
ChEMBL Ligand CHEMBL278020
DrugBank Ligand DB01400
GtoPdb PubChem SID 310264771
PubChem CID 4456
Search Google for chemical match using the InChIKey ALWKGYPQUAPLQC-UHFFFAOYSA-N
Search Google for chemicals with the same backbone ALWKGYPQUAPLQC
Search PubMed clinical trials neostigmine bromide
Search PubMed titles neostigmine bromide
Search PubMed titles/abstracts neostigmine bromide
Search UniChem for chemical match using the InChIKey ALWKGYPQUAPLQC-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone ALWKGYPQUAPLQC
Comments
Neostigmine is a peripherally acting, reversible acetylcholinesterase (ACHE) inhibitor. Marketed formulations contain neostigmine bromide (PubChem CID 8246) or neostigmine methylsulfate (CID 5824).