pancuronium

Ligand id: 4001

Name: pancuronium

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 0
Rotatable bonds 6
Topological polar surface area 52.6
Molecular weight 572.46
XLogP 6.59
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Approved drug? Yes (source: FDA (1990))
IUPAC Name
1-[(1S,2S,4S,5S,7S,10R,11S,13S,14R,15S)-5,14-bis(acetyloxy)-2,15-dimethyl-13-(1-methylpiperidin-1-ium-1-yl)tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-4-yl]-1-methylpiperidin-1-ium
International Nonproprietary Names
INN number INN
2489 pancuronium bromide
Synonyms
Pavulon®
Database Links
CAS Registry No. 15500-66-0 (source: Scifinder)
ChEMBL Ligand CHEMBL185073
DrugBank Ligand DB01337
PubChem CID 441289
Search Google for chemical match using the InChIKey GVEAYVLWDAFXET-XGHATYIMSA-N
Search Google for chemicals with the same backbone GVEAYVLWDAFXET
Search PubMed clinical trials pancuronium bromide
Search PubMed titles pancuronium bromide
Search PubMed titles/abstracts pancuronium bromide
Wikipedia Pancuronium_bromide
Comments
Pancuronium is a non-depolarizing curare-mimetic muscle relaxant, whose main action is as competitive acetylcholine antagonist at nicotinic acetylcholine receptors at neuromuscular junctions. Pancuronium is notoriously one of the components of the lethal injection in administration of the death penalty.