echothiophate

Ligand id: 9074

Name: echothiophate

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View more information in the IUPHAR Pharmacology Education Project: ecothiopate

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 0
Rotatable bonds 7
Topological polar surface area 70.64
Molecular weight 242.1
XLogP 0.06
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Approved drug? Yes (FDA (1960))
IUPAC Name
2-diethoxyphosphorylsulfanylethyl(trimethyl)azanium
Synonyms
ecostigmine iodide | phospholine iodide
Database Links
CAS Registry No. 6736-03-4 (source: PubChem)
ChEMBL Ligand CHEMBL1201341
DrugBank Ligand DB01057
PubChem CID 10548
Search Google for chemical match using the InChIKey LNRGVMGSJITNPJ-UHFFFAOYSA-N
Search Google for chemicals with the same backbone LNRGVMGSJITNPJ
Search UniChem for chemical match using the InChIKey LNRGVMGSJITNPJ-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone LNRGVMGSJITNPJ
Wikipedia Echothiophate
Comments
Echothiophate is the parent molecule of the irreversible cholinesterase inhibitor echothiophate iodide (PubChem CID 10547).