Molecular Details
DICL_CP_0307940
- 2-carbamoyloxyethyl(trimethyl)azanium
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0307940
PubChem CID
Molecular Formula
C6H15N2O2+ Molecular Weight
147.198 g/mol
Synonyms/Alias
[Carbamylcholine; Carbastat; Carbamoylcholine; 462-58-8; Carbacholine; choline carbamate; Choline; carbonate (ester); 2-carbamoyloxyethyl(trimethyl)azanium; 2-(carbamoyloxy)-N;N;N-trimethylethanaminiu...
InChI Key
VPJXQGSRWJZDOB-UHFFFAOYSA-O
InChI
InChI=1S/C6H14N2O2/c1-8(2,3)4-5-10-6(7)9/h4-5H2,1-3H3,(H-,7,9)/p+1
IUPAC Name
2-carbamoyloxyethyl(trimethyl)azanium
CAS Number
51-83-2
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
25 24 0 0 0 0 0 0 0 0999 V2000
-2.7260 -0.3087 -0.4334 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4921 -0.0351 0.3433 N 0 0 0 0 0 4 0 0 0 0 0 0
-1.4095 -1.021...
Experimental Data
Activity Data
Target Ion Channel
Two-pore domain potassium channel subfamily K member 18
Uniprot Accession Number
Function
Activator
Species
Homo sapiens (Human)
IC50
IC50: 1590 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 7.35
Holding Potential
−80 mV mV
Temperature
Not mention
Test Method
Patch-clamping
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
10
Rotatable Bonds
3
logP
-0.2121
Complexity
38.4348
TPSA (Ų)
52.32
H-Bond Donors
1
H-Bond Acceptors
2
Ring Count
0