Electrostatic potential surface for M142
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-(CH2)6-CH2OH
Molecular Formula C8H18O
Chemical Group Alcohol
Anaesthetic Type Alcohol
Chiral Structure No
molfield.org ID M142
CAS Number 111-87-5
ChEMBL (External Link) CHEMBL26215
ChEBI (External Link) CHEBI:16188
Drug Bank (External Link) -
ChemSpider (External Link) 932
PubChem (External Link) 957
Chemicalize.org (External Link) CAS No 111-87-5
SMILES String CCCCCCCCO
Molecular Weight (g.mol-1) 130.229
In Vivo Activity Data
Immobility: MAC Rat (atm)0.00000117 ± 0.000000052 (n=22)Fang Z, Ionescu P, Chortkoff BS, et al. Anesth Analg 1997;84:1042-8
Physical Properties
Saline / Gas Partition Coeff. at 37°C708 ± 86 (n=4)Fang Z, Ionescu P, Chortkoff BS, et al. Anesth Analg 1997;84:1042-8
Olive Oil / Gas Partition Coeff. at 37°C93500 ± 8700 (n=4)Fang Z, Ionescu P, Chortkoff BS, et al. Anesth Analg 1997;84:1042-8
Octanol / Gas Partition Coeff. at 37°C1017000 ± 106000 (n=4)Fang Z, Ionescu P, Chortkoff BS, et al. Anesth Analg 1997;84:1042-8
Vapour Pressure at 20°C (atm)0.000039Eger EI II, Ionescu P, Laster MJ, et al. Anesth Analg 1999;88:867-76
Calculated Molecular Properties
van der Waals Volume 150 Å3 
van der Waals Surface Area 240 Å2 
Solvent Accessible Volume 574 Å3(based on a 1.4Å probe)
Solvent Accessible Surface Area 393 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