Molecular Details
DICL_CP_0307673
- 3,5,5-trimethyl-1,3-oxazolidine-2,4-dione
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0307673
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
2.7105 -0.6719 0.3130 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4345 -0.3126 -0.2921 N 0 0 0 0 0 0 0 0 0 0 0 0
1.1697 0.870...
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
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
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