Molecular Details
DICL_CP_0315917
- 2-(2-chlorophenyl)-2-(methylamino)cyclohexan-1-one
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0315917
PubChem CID
Molecular Formula
C13H16ClNO Molecular Weight
237.73 g/mol
Synonyms/Alias
[ketamine; dl-Ketamine; Ketaject; Special K; Ketalar; (+-)-Ketamine; CI 581 base; Calypsol; Ketaminum; CLSTA 20; 6740-88-1; (+/-)-Ketamine; narketan; Cetamina; Ketanest; Tekam; Ketalar base; 2-(2-Chlo...
InChI Key
YQEZLKZALYSWHR-UHFFFAOYSA-N
InChI
InChI=1S/C13H16ClNO/c1-15-13(9-5-4-8-12(13)16)10-6-2-3-7-11(10)14/h2-3,6-7,15H,4-5,8-9H2,1H3
IUPAC Name
2-(2-chlorophenyl)-2-(methylamino)cyclohexan-1-one
CAS Number
6740-88-1
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
32 33 0 0 0 0 0 0 0 0999 V2000
-0.6442 2.3866 0.4729 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7150 1.4184 -0.6300 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.2452 0.049...
Experimental Data
Activity Data
Target Ion Channel
G protein activated inward rectifier potassium channel 1/2
Uniprot Accession Number
Function
Activator
Species
Rattus norvegicus (Rat)
IC50
N/A (Not available)
EC50
EC50: 5200 nM
Ki
N/A (Not available)
Kd
N/A (Not available)
Inhibition
N/A (Not available)
Experimental Conditions
pH
pH 7.2
Holding Potential
−90 to 10 mV mV
Temperature
Room Temperature
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
16
Rotatable Bonds
2
logP
2.8978
Complexity
65.6647
TPSA (Ų)
29.1
H-Bond Donors
1
H-Bond Acceptors
2
Ring Count
2