Electrostatic potential surface for M045
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 CH2=CH2
Molecular Formula C2H4
Chemical Group Alkene
Anaesthetic Type Inhalational: Conventional Agent
Chiral Structure No
molfield.org ID M045
CAS Number 74-85-1
ChEMBL (External Link) CHEMBL117822
ChEBI (External Link) CHEBI:18153
Drug Bank (External Link) -
ChemSpider (External Link) 6085
PubChem (External Link) 6325
Chemicalize.org (External Link) CAS No 74-85-1
SMILES String C=C
Molecular Weight (g.mol-1) 28.0533
SynonymsDicarbene
In Vivo Activity Data
Immobility: MAC Rat [Pa/PI Corrected] (atm)1.61 (n=4)Eger EI II and Laster MJ. Anesth Analg 2001;92:1477-82
Immobility: MAC Rat (atm)1.75 ± 0.03 (n=4)Eger EI II and Laster MJ. Anesth Analg 2001;92:1477-82
Physical Properties
Saline / Gas Partition Coeff. at 37°C0.095 ± 0.003Eger EI II and Laster MJ. Anesth Analg 2001;92:1477-82
Olive Oil / Gas Partition Coeff. at 37°C1.4 ± 0.05Eger EI II and Laster MJ. Anesth Analg 2001;92:1477-82
Blood / Gas Partition Coeff. at 37°C0.15Steward A, Allott PR, Cowles AL & Mapleson WW. Br J Anaesth 1973;45:282-93
Water / Gas Partition Coeff. at 37°C0.09Steward A, Allott PR, Cowles AL & Mapleson WW. Br J Anaesth 1973;45:282-93
Calculated Molecular Properties
van der Waals Volume 38 Å3 
van der Waals Surface Area 61 Å2 
Solvent Accessible Volume 195 Å3(based on a 1.4Å probe)
Solvent Accessible Surface Area 168 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