Molecular Details
DICL_CP_0307672
- 3,5,5-trimethyl-1,3-oxazolidine-2,4-dione
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0307672
PubChem CID
Molecular Formula
C6H9NO3 Molecular Weight
143.142 g/mol
Synonyms/Alias
N/A (Not available)
InChI Key
IRYJRGCIQBGHIV-UHFFFAOYSA-N
InChI
InChI=1S/C6H9NO3/c1-6(2)4(8)7(3)5(9)10-6/h1-3H3
IUPAC Name
3,5,5-trimethyl-1,3-oxazolidine-2,4-dione
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
19 19 0 0 0 0 0 0 0 0999 V2000
2.7872 0.0402 -0.4847 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3891 -0.3498 -0.3554 N 0 0 0 0 0 0 0 0 0 0 0 0
0.8885 -1.370...
Experimental Data
Activity Data
Target Ion Channel
Sodium channel protein type 1/2/3 subunit alpha
Uniprot Accession Number
Function
Antagonist
Species
Rattus norvegicus (Rat)
IC50
IC50: >1000000 nM
EC50
N/A (Not available)
Ki
N/A (Not available)
Kd
N/A (Not available)
Inhibition
N/A (Not available)
Experimental Conditions
pH
pH 7.4
Holding Potential
Not specified
Temperature
25 ℃
Test Method
Binding assay ([3H] BTX-B )
Test Species
rat cerebral cortex
Binding Information
Binding Site
Not specified
Binding Site Residue
Not specified
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
10
Rotatable Bonds
0
logP
0.3736
Complexity
33.33
TPSA (Ų)
46.61
H-Bond Donors
0
H-Bond Acceptors
3
Ring Count
1