ethanol   Click here for help

GtoPdb Ligand ID: 2299

PDB Ligand
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
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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
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Canonical SMILES CCO
Isomeric SMILES CCO
InChI InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3
InChI Key LFQSCWFLJHTTHZ-UHFFFAOYSA-N
Classification Click here for help
Compound class Metabolite or derivative
WHO Essential Medicine WHO Model List of Essential Medicines (21st List, 2019). Access PDF version.
IUPAC Name Click here for help
ethanol
Database Links Click here for help
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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Wikipedia Ethanol