edrophonium   

GtoPdb Ligand ID: 9073

Synonyms: Enlon® | Tensilon®
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
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
SMILES / InChI / InChIKey
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
InChI Key VWLHWLSRQJQWRG-UHFFFAOYSA-O
Classification
Compound class Synthetic organic
Approved drug? Yes (FDA (1951))
IUPAC Name
ethyl-(3-hydroxyphenyl)-dimethylazanium
International Nonproprietary Names
INN number INN
187 edrophonium chloride
Synonyms
Enlon® | Tensilon®
Database Links
BindingDB Ligand 120262
ChEMBL Ligand CHEMBL1104
DrugBank Ligand DB01010
DrugCentral Ligand 988
GtoPdb PubChem SID 315661158
PubChem CID 3202
RCSB PDB Ligand EDR
Search Google for chemical match using the InChIKey VWLHWLSRQJQWRG-UHFFFAOYSA-O
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Search PubMed clinical trials edrophonium chloride
Search PubMed titles edrophonium chloride
Search PubMed titles/abstracts edrophonium chloride
Search UniChem for chemical match using the InChIKey VWLHWLSRQJQWRG-UHFFFAOYSA-O
Search UniChem for chemicals with the same backbone VWLHWLSRQJQWRG
Wikipedia Edrophonium