Molecular Details
DICL_CP_0319610
- 2-(dimethylamino)ethyl 4-(butylamino)benzoate
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0319610
PubChem CID
Molecular Formula
C15H24N2O2 Molecular Weight
264.369 g/mol
Synonyms/Alias
[tetracaine; 94-24-6; Amethocaine; 2-(Dimethylamino)ethyl 4-(butylamino)benzoate; Pontocaine; Dicaine; Laudocaine; Metraspray; Tetrakain; Anetain; Uromucaesthin; Contralgin; Fissucain; Intercain; Meet...
InChI Key
GKCBAIGFKIBETG-UHFFFAOYSA-N
InChI
InChI=1S/C15H24N2O2/c1-4-5-10-16-14-8-6-13(7-9-14)15(18)19-12-11-17(2)3/h6-9,16H,4-5,10-12H2,1-3H3
IUPAC Name
2-(dimethylamino)ethyl 4-(butylamino)benzoate
CAS Number
94-24-6
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
43 43 0 0 0 0 0 0 0 0999 V2000
6.2333 0.2846 -2.4732 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4048 0.4362 -0.9618 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0547 -0.848...
Experimental Data
Activity Data
Target Ion Channel
Sodium channel protein type 8 subunit alpha
Uniprot Accession Number
Function
Blocker
Species
Homo sapiens (Human)
IC50
IC50: 520 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
Room Temperature
Test Method
Fluorometric Imaging Plate Reader (FLIPR) Membrane Potential Assay
Test Species
HEK293 cell (Homo sapiens embryonic kidney 293 cell)
Binding Information
Binding Site
Not specified
Binding Site Residue
Not specified
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
19
Rotatable Bonds
8
logP
2.617
Complexity
78.6762
TPSA (Ų)
41.57
H-Bond Donors
1
H-Bond Acceptors
4
Ring Count
1