Electrostatic potential surface for M117
This anaesthetic has a single low-energy conformer.
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Surface view shows the electrostatic potential of the structure 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 CH3OH
Molecular Formula CH4O
Chemical Group Alcohol
Anaesthetic Type Alcohol
Chiral Structure No
molfield.org ID M117
CAS Number 67-56-1
ChEMBL (External Link) CHEMBL14688
ChEBI (External Link) CHEBI:17790
Drug Bank (External Link) -
ChemSpider (External Link) 864
PubChem (External Link) 887
Chemicalize.org (External Link) CAS No 67-56-1
SMILES String CO
Molecular Weight (g.mol-1) 32.042
SynonymsMethyl alcohol
In Vivo Activity Data
Immobility: MAC Rat (atm)0.002 ± 0.0001 (n=13)Fang Z, Ionescu P, Chortkoff BS, et al. Anesth Analg 1997;84:1042-8
Physical Properties
Saline / Gas Partition Coeff. at 37°C3780 ± 210 (n=4)Fang Z, Ionescu P, Chortkoff BS, et al. Anesth Analg 1997;84:1042-8
Olive Oil / Gas Partition Coeff. at 37°C48.6 ± 7.7 (n=4)Fang Z, Ionescu P, Chortkoff BS, et al. Anesth Analg 1997;84:1042-8
Octanol / Gas Partition Coeff. at 37°C163 ± 4 (n=4)Fang Z, Ionescu P, Chortkoff BS, et al. Anesth Analg 1997;84:1042-8
Blood / Gas Partition Coeff. at 37°C3230 ± 210 (n=4)Fang Z, Ionescu P, Chortkoff BS, et al. Anesth Analg 1997;84:1042-8
Calculated Molecular Properties
van der Waals Volume 34 Å3 
van der Waals Surface Area 61 Å2 
Solvent Accessible Volume 189 Å3(based on a 1.4Å probe)
Solvent Accessible Surface Area 164 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