Electrostatic potential surface for M001
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 CH4
Molecular Formula CH4
Chemical Group Alkane
Anaesthetic Type Inhalational: Conventional Agent
Chiral Structure No
molfield.org ID M001
CAS Number 74-82-8
ChEMBL (External Link) CHEMBL17564
ChEBI (External Link) CHEBI:16183
Drug Bank (External Link) -
ChemSpider (External Link) 291
PubChem (External Link) 297
Chemicalize.org (External Link) CAS No 74-82-8
SMILES String C
Molecular Weight (g.mol-1) 16.0426
In Vivo Activity Data
Immobility: MAC Rat [Pa/PI Corrected] (atm)9.8 (n=5)Eger EI II and Laster MJ. Anesth Analg 2001;92:1477-82
Immobility: MAC Rat (atm)9.9 ± 1.29 (n=5)Eger EI II and Laster MJ. Anesth Analg 2001;92:1477-82
Physical Properties
Saline / Gas Partition Coeff. at 37°C0.0244 ± 0.0001 (n=4)Taheri S, Laster MJ, Liu J, et al. Anesth Analg 1993;77:7-11
Olive Oil / Gas Partition Coeff. at 37°C0.302 ± 0.004 (n=4)Taheri S, Laster MJ, Liu J, et al. Anesth Analg 1993;77:7-11
Octanol / Gas Partition Coeff. at 37°C0.374 ± 0.003 (n=4)Taheri S, Laster MJ, Liu J, et al. Anesth Analg 1993;77:7-11
Calculated Molecular Properties
van der Waals Volume 26 Å3 
van der Waals Surface Area 49 Å2 
Solvent Accessible Volume 158 Å3(based on a 1.4Å probe)
Solvent Accessible Surface Area 144 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