Electrostatic potential surface for M006
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 CHCl3
Molecular Formula CHCl3
Chemical Group Alkane
Anaesthetic Type Inhalational: Conventional Agent
Chiral Structure No
molfield.org ID M006
CAS Number 67-66-3
ChEMBL (External Link) CHEMBL44618
ChEBI (External Link) CHEBI:35255
Drug Bank (External Link) -
ChemSpider (External Link) 5977
PubChem (External Link) 6212
Chemicalize.org (External Link) CAS No 67-66-3
SMILES String C(Cl)(Cl)Cl
Molecular Weight (g.mol-1) 119.378
In Vivo Activity Data
Immobility: MAC Mouse (atm)0.00575 ± 0.00064 (n=10)Deady JE, Koblin DD, Eger EI II, et al. Anesth Analg 1981;60:380-4
Immobility: MAC Dog (atm)0.0077 ± 0.001 (n=6)Eger EI II, Lundgren C, Miller SL & Stevens WC. Anesthesiology 1969;30:129-35
Righting Reflex: Mouse ED50 (atm)0.00357 ± 0.00021 (n=10)Deady JE, Koblin DD, Eger EI II, et al. Anesth Analg 1981;60:380-4
Physical Properties
Olive Oil / Gas Partition Coeff. at 37°C265
Blood / Gas Partition Coeff. at 37°C8Steward A, Allott PR, Cowles AL & Mapleson WW. Br J Anaesth 1973;45:282-93
Water / Gas Partition Coeff. at 37°C4Steward A, Allott PR, Cowles AL & Mapleson WW. Br J Anaesth 1973;45:282-93
Calculated Molecular Properties
van der Waals Volume 68 Å3 
van der Waals Surface Area 97 Å2 
Solvent Accessible Volume 286 Å3(based on a 1.4Å probe)
Solvent Accessible Surface Area 221 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