Electrostatic potential surface for M075
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 Cyclopropane
Molecular Formula C3H6
Chemical Group Cycloalkane
Anaesthetic Type Inhalational: Conventional Agent
Chiral Structure No
molfield.org ID M075
CAS Number 75-19-4
ChEMBL (External Link) CHEMBL1796999
ChEBI (External Link) -
Drug Bank (External Link) -
ChemSpider (External Link) 6111
PubChem (External Link) 6351
Chemicalize.org (External Link) CAS No 75-19-4
SMILES String C1CC1
Molecular Weight (g.mol-1) 42.08
In Vivo Activity Data
Immobility: MAC Rat (atm)0.16Taheri S, Halsey MJ, Liu J, et al. Anesth Analg 1991;72:627-34
Immobility: MAC Mouse (atm)0.266 ± 0.008 (n=9)Deady JE, Koblin DD, Eger EI II, et al. Anesth Analg 1981;60:380-4
Immobility: MAC Dog (atm)0.18Taheri S, Halsey MJ, Liu J, et al. Anesth Analg 1991;72:627-34
Immobility: MAC Human (atm)0.092Taheri S, Halsey MJ, Liu J, et al. Anesth Analg 1991;72:627-34
Righting Reflex: Mouse ED50 (atm)0.1421 ± 0.0004 (n=9)Deady JE, Koblin DD, Eger EI II, et al. Anesth Analg 1981;60:380-4
Physical Properties
Saline / Gas Partition Coeff. at 37°C0.204
Olive Oil / Gas Partition Coeff. at 37°C10.8 ± 0.3 (n=4)Taheri S, Halsey MJ, Liu J, et al. Anesth Analg 1991;72:627-34
Octanol / Gas Partition Coeff. at 37°C13.8 ± 0.3 (n=4)Taheri S, Halsey MJ, Liu J, et al. Anesth Analg 1991;72:627-34
Blood / Gas Partition Coeff. at 37°C0.55Steward A, Allott PR, Cowles AL & Mapleson WW. Br J Anaesth 1973;45:282-93
Water / Gas Partition Coeff. at 37°C0.21Steward A, Allott PR, Cowles AL & Mapleson WW. Br J Anaesth 1973;45:282-93
Calculated Molecular Properties
van der Waals Volume 56 Å3 
van der Waals Surface Area 83 Å2 
Solvent Accessible Volume 246 Å3(based on a 1.4Å probe)
Solvent Accessible Surface Area 200 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