Molecular Details
DICL_CP_0356670
- (1S)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2,2-dimethyl-3,4-dihydro-1H-isoquinolin-2-ium
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0356670
PubChem CID
Molecular Formula
C22H30NO4+ Molecular Weight
372.485 g/mol
Synonyms/Alias
[N-Me-laudanosine; N-methyl-laudanosine; CHEMBL215370; CHEMBL1182154; BDBM50199404; 1-(3;4-Dimethoxy-benzyl)-6;7-dimethoxy-2;2-dimethyl-1;2;3;4-tetrahydro-isoquinolinium iodide; 1-(3;4-Dimethoxy-benzy...
InChI Key
RVBHVIRGZXRPRX-SFHVURJKSA-N
InChI
InChI=1S/C22H30NO4/c1-23(2)10-9-16-13-21(26-5)22(27-6)14-17(16)18(23)11-15-7-8-19(24-3)20(12-15)25-4...
IUPAC Name
(1S)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2,2-dimethyl-3,4-dihydro-1H-isoquinolin-2-ium
CAS Number
64228-81-5
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
57 59 0 0 0 0 0 0 0 0999 V2000
0.7983 -2.1820 -2.0240 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5258 -1.6922 -1.5613 N 0 0 0 0 0 4 0 0 0 0 0 0
-1.3084 -1.256...
Experimental Data
Activity Data
Target Ion Channel
Small conductance calcium activated potassium channel protein 1/2/3
Uniprot Accession Number
Function
Blocker
Species
Rattus norvegicus (Rat)
IC50
IC50: 8700 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 mention mV
Temperature
Not mention
Test Method
Patch-clamping
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
27
Rotatable Bonds
6
logP
3.6373
Complexity
106.2164
TPSA (Ų)
36.92
H-Bond Donors
0
H-Bond Acceptors
4
Ring Count
3