Molecular Details
DICL_CP_0311599
- 1,1,1,3,3,3-hexafluoro-2-(fluoromethoxy)propane
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0311599
PubChem CID
Molecular Formula
C4H3F7O Molecular Weight
200.053 g/mol
Synonyms/Alias
[sevoflurane; 28523-86-6; 1;1;1;3;3;3-Hexafluoro-2-(fluoromethoxy)propane; Sevofluran; Ultane; Sevorane; Sojourn; MR6S4; sevoflo; Sevoflurano; Sevofluranum; Sevofluranum [INN-Latin]; Sevoflurano [INN-...
InChI Key
DFEYYRMXOJXZRJ-UHFFFAOYSA-N
InChI
InChI=1S/C4H3F7O/c5-1-12-2(3(6,7)8)4(9,10)11/h2H,1H2
IUPAC Name
1,1,1,3,3,3-hexafluoro-2-(fluoromethoxy)propane
CAS Number
28523-86-6
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
15 14 0 0 0 0 0 0 0 0999 V2000
2.0422 0.2426 -0.2294 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8057 -0.1974 -0.7463 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2463 0.038...
Experimental Data
Activity Data
Target Ion Channel
G protein activated inward rectifier potassium channel 1/4
Uniprot Accession Number
Function
Inactive
Species
Homo sapiens (Human)
IC50
N/A (Not available)
EC50
EC50: >10000 nM
Ki
N/A (Not available)
Kd
N/A (Not available)
Inhibition
N/A (Not available)
Experimental Conditions
pH
pH 7.4
Holding Potential
−40 mV mV
Temperature
36–37 °C
Test Method
Patch-clamping
Test Species
Guinea pig
Binding Information
Binding Site
Not specified
Binding Site Residue
Not specified
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
12
Rotatable Bonds
2
logP
2.4232
Complexity
22.958
TPSA (Ų)
9.23
H-Bond Donors
0
H-Bond Acceptors
1
Ring Count
0