Electrostatic potential surface for M048
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 CHCl=CCl2
Molecular Formula C2HCl3
Chemical Group Alkene
Anaesthetic Type Inhalational: Conventional Agent
Chiral Structure No
molfield.org ID M048
CAS Number 79-01-6
ChEMBL (External Link) CHEMBL279816
ChEBI (External Link) CHEBI:16602
Drug Bank (External Link) -
ChemSpider (External Link) 13837280
PubChem (External Link) 6575
Chemicalize.org (External Link) CAS No 79-01-6
SMILES String C(=CCl)(Cl)Cl
Molecular Weight (g.mol-1) 131.389
SynonymsTrilene, Trimar
In Vivo Activity Data
Immobility: MAC Rat (atm)0.006Halsey MJ. Br J Anaesth 1984;56:9S-25S
Physical Properties
Olive Oil / Gas Partition Coeff. at 37°C714
Blood / Gas Partition Coeff. at 37°C9Steward A, Allott PR, Cowles AL & Mapleson WW. Br J Anaesth 1973;45:282-93
Water / Gas Partition Coeff. at 37°C1.7Steward A, Allott PR, Cowles AL & Mapleson WW. Br J Anaesth 1973;45:282-93
Calculated Molecular Properties
van der Waals Volume 83 Å3 
van der Waals Surface Area 111 Å2 
Solvent Accessible Volume 325 Å3(based on a 1.4Å probe)
Solvent Accessible Surface Area 245 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