ethanol   

GtoPdb Ligand ID: 2299

Comment: The US FDA granted approval for the use of an injectable formulation of ethanol (alcohol) in dextrose solution, but marketing has been discontinued.
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 1
Hydrogen bond donors 1
Rotatable bonds 0
Topological polar surface area 20.23
Molecular weight 46.04
XLogP -0.08
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES CCO
Isomeric SMILES CCO
InChI InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3
InChI Key LFQSCWFLJHTTHZ-UHFFFAOYSA-N
Classification
Compound class Metabolite or derivative
WHO Essential Medicine WHO Model List of Essential Medicines (21st List, 2019). Access PDF version.
IUPAC Name
ethanol
Database Links
CAS Registry No. 64-17-5 (source: DrugBank)
ChEBI CHEBI:16236
ChEMBL Ligand CHEMBL545
DrugBank Ligand DB00898
DrugCentral Ligand 1076
GtoPdb PubChem SID 135651485
PubChem CID 702
RCSB PDB Ligand EOH
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Search UniChem for chemical match using the InChIKey LFQSCWFLJHTTHZ-UHFFFAOYSA-N
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Wikipedia Ethanol