Molecular Details
DICL_CP_0306926
- acetaldehyde
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0306926
PubChem CID
Molecular Formula
C2H4O Molecular Weight
44.053 g/mol
Synonyms/Alias
[acetaldehyde; ethanal; 75-07-0; acetic aldehyde; ethyl aldehyde; Acetaldehyd; Acetylaldehyde; aldehyde; Aldeide acetica; Octowy aldehyd; Aldehyde acetique; Ethylaldehyde; Azetaldehyd; Acetic ethanol;...
InChI Key
IKHGUXGNUITLKF-UHFFFAOYSA-N
InChI
InChI=1S/C2H4O/c1-2-3/h2H,1H3
IUPAC Name
acetaldehyde
CAS Number
N/A (Not available)
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
3 2 0 0 0 0 0 0 0 0999 V2000
-1.2990 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2990 -0...
Experimental Data
Activity Data
Target Ion Channel
ATP sensitive inward rectifier potassium channel 1
Uniprot Accession Number
Function
Inhibitor
Species
Rattus norvegicus (Rat)
IC50
IC50: 66 nM
EC50
N/A (Not available)
Ki
N/A (Not available)
Kd
N/A (Not available)
Inhibition
N/A (Not available)
Experimental Conditions
pH
Not mention
Holding Potential
−110 mV mV
Temperature
23 ± 1 °C
Test Method
Patch-clamping
Test Species
Not specified
Binding Information
Binding Site
Not specified
Binding Site Residue
Not specified
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
3
Rotatable Bonds
0
logP
0.2052
Complexity
11.738
TPSA (Ų)
17.07
H-Bond Donors
0
H-Bond Acceptors
1
Ring Count
0