Molecular Details
DICL_CP_0319584
- 2-(dimethylamino)ethyl 4-(butylamino)benzoate
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0319584
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
19 19 0 0 0 0 0 0 0 0999 V2000
-9.0123 0.0920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.5820 0.5439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.4755 -0...
Experimental Data
Activity Data
Target Ion Channel
Sodium channel protein type 9 subunit alpha
Uniprot Accession Number
Function
Inhibitor
Species
Rattus norvegicus (Rat)
IC50
IC50: 7600 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
−140 mV mV
Temperature
22–24 °C
Test Method
Patch-clamping
Test Species
HEK293 cell (Homo sapiens embryonic kidney 293 cell)
Binding Information
Binding Site
Extracellular domain
Binding Site Residue
unknown
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