edrophonium   Click here for help

GtoPdb Ligand ID: 9073

Synonyms: Enlon® | Tensilon®
Approved drug PDB Ligand
edrophonium is an approved drug (FDA (1951))
Compound class: Synthetic organic
Comment: Edrophonium is the parent molecule of the clinically used rapid-onset, short-acting cholinesterase inhibitor edrophonium chloride (PubChem CID 8307).
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 0
Hydrogen bond donors 1
Rotatable bonds 2
Topological polar surface area 20.23
Molecular weight 166.12
XLogP 1.46
No. Lipinski's rules broken 0
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Canonical SMILES CC[N+](c1cccc(c1)O)(C)C
Isomeric SMILES CC[N+](c1cccc(c1)O)(C)C
InChI InChI=1S/C10H15NO/c1-4-11(2,3)9-6-5-7-10(12)8-9/h5-8H,4H2,1-3H3/p+1
1. Boyle NA, Talesa V, Giovannini E, Rosi G, Norton SJ. (1997)
Synthesis and study of thiocarbonate derivatives of choline as potential inhibitors of acetylcholinesterase.
J Med Chem, 40 (19): 3009-13. [PMID:9301662]