Electrostatic potential surface for M077
This anaesthetic has more than one structural configuration. An example low energy conformer is shown.
Surface View:   On  Off
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 Cyclopentane
Molecular Formula C5H10
Chemical Group Cycloalkane
Anaesthetic Type Inhalational: Transitional Agent
Chiral Structure No
molfield.org ID M077
CAS Number 287-92-3
ChEMBL (External Link) CHEMBL1370850
ChEBI (External Link) CHEBI:23492
Drug Bank (External Link) -
ChemSpider (External Link) 8896
PubChem (External Link) 9253
Chemicalize.org (External Link) CAS No 287-92-3
SMILES String C1CCCC1
Molecular Weight (g.mol-1) 70.1334
In Vivo Activity Data
Immobility: MAC Rat [Pa/PI Corrected] (atm)0.053 ± 0.004 (n=4)Fang Z, Sonner J, Laster MJ, et al. Anesth Analg 1996;83:1097-104
Immobility: MAC Rat (atm)0.0586 ± 0.0043 (n=4)Fang Z, Sonner J, Laster MJ, et al. Anesth Analg 1996;83:1097-104
Physical Properties
Saline / Gas Partition Coeff. at 37°C0.088 ± 0.002Fang Z, Sonner J, Laster MJ, et al. Anesth Analg 1996;83:1097-104
Olive Oil / Gas Partition Coeff. at 37°C139 ± 4Fang Z, Sonner J, Laster MJ, et al. Anesth Analg 1996;83:1097-104
Octanol / Gas Partition Coeff. at 37°C145 ± 2Fang Z, Sonner J, Laster MJ, et al. Anesth Analg 1996;83:1097-104
Blood / Gas Partition Coeff. at 37°C1.74 ± 0.05 (n=4)Fang Z, Sonner J, Laster MJ, et al. Anesth Analg 1996;83:1097-104
Arterial / Inspired Partial Pressure (Pa/PI)0.901 ± 0.021 (n=4)Fang Z, Sonner J, Laster MJ, et al. Anesth Analg 1996;83:1097-104
Calculated Molecular Properties
van der Waals Volume 86 Å3 
van der Waals Surface Area 128 Å2 
Solvent Accessible Volume 332 Å3(based on a 1.4Å probe)
Solvent Accessible Surface Area 251 Å2(based on a 1.4Å probe)
Notes
Twitching at 0.0026 atm
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