Electrostatic potential surface for M161
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 CH2Cl-CH3
Molecular Formula C2H5Cl
Chemical Group Alkane
Anaesthetic Type
Chiral Structure No
molfield.org ID M161
CAS Number 75-00-3
ChEMBL (External Link) CHEMBL46058
ChEBI (External Link) CHEBI:47554
Drug Bank (External Link) -
ChemSpider (External Link) 6097
PubChem (External Link) 6337
Chemicalize.org (External Link) CAS No 75-00-3
SMILES String C(C)Cl
Molecular Weight (g.mol-1) 64.5145
SynonymsMonochloroethane, Chlorene
In Vivo Activity Data
Immobility: MAC Human (atm)0.02Bourne JG. Nitrous Oxide in Dentistry. London: Lloyd-Luke, 1960
Physical Properties
Blood / Gas Partition Coeff. at 37°C2Steward A, Allott PR, Cowles AL & Mapleson WW. Br J Anaesth 1973;45:282-93
Water / Gas Partition Coeff. at 37°C1.2Steward A, Allott PR, Cowles AL & Mapleson WW. Br J Anaesth 1973;45:282-93
Calculated Molecular Properties
van der Waals Volume 57 Å3 
van der Waals Surface Area 89 Å2 
Solvent Accessible Volume 262 Å3(based on a 1.4Å probe)
Solvent Accessible Surface Area 207 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