Electrostatic potential surface for M118
This anaesthetic has more than one structural configuration. An example low energy conformer is shown.
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Surface view shows the electrostatic potential of the conformer mapped onto the solvent excluded surface, based on a probe of radius 1.4Å. Regions of negative potential are shown in red, positive in blue.
 
Structure Details
Structural Formula CH3-CH2OH
Molecular Formula C2H6O
Chemical Group Alcohol
Anaesthetic Type Alcohol
Chiral Structure No
molfield.org ID M118
CAS Number 64-17-5
ChEMBL (External Link) CHEMBL545
ChEBI (External Link) CHEBI:16236
Drug Bank (External Link) DB00898
ChemSpider (External Link) 682
PubChem (External Link) 702
Chemicalize.org (External Link) CAS No 64-17-5
SMILES String CCO
Molecular Weight (g.mol-1) 46.0687
SynonymsEthyl alcohol
In Vivo Activity Data
Immobility: MAC Rat (atm)0.000989 ± 0.000026 (n=27)Fang Z, Ionescu P, Chortkoff BS, et al. Anesth Analg 1997;84:1042-8
Physical Properties
Saline / Gas Partition Coeff. at 37°C2650 ± 150 (n=4)Fang Z, Ionescu P, Chortkoff BS, et al. Anesth Analg 1997;84:1042-8
Olive Oil / Gas Partition Coeff. at 37°C108 ± 6 (n=4)Fang Z, Ionescu P, Chortkoff BS, et al. Anesth Analg 1997;84:1042-8
Octanol / Gas Partition Coeff. at 37°C1150 ± 30 (n=4)Fang Z, Ionescu P, Chortkoff BS, et al. Anesth Analg 1997;84:1042-8
Blood / Gas Partition Coeff. at 37°C2570 ± 200 (n=8)Fang Z, Ionescu P, Chortkoff BS, et al. Anesth Analg 1997;84:1042-8
Calculated Molecular Properties
van der Waals Volume 51 Å3 
van der Waals Surface Area 87 Å2 
Solvent Accessible Volume 246 Å3(based on a 1.4Å probe)
Solvent Accessible Surface Area 200 Å2(based on a 1.4Å probe)
All values are mean ± SD, except data labelled with † which are mean ± SEM. Use of this web site assumes acceptance of our Copyright & Licence conditions.
Database Version: 1.09.9     Last Updated: 21st February 2014