![]() This anaesthetic has more than one structural configuration. An example low energy conformer is shown. Surface View:
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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.
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In Vivo Activity Data | ||
Immobility: MAC Rat (atm) | 0.0124 | Taheri S, Halsey MJ, Liu J, et al. Anesth Analg 1991;72:627-34 |
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Immobility: MAC Mouse (atm) | 0.01 ± 0.0004 (n=42) | Deady JE, Koblin DD, Eger EI II, et al. Anesth Analg 1981;60:380-4 |
Immobility: MAC Dog (atm) | 0.01 | Taheri S, Halsey MJ, Liu J, et al. Anesth Analg 1991;72:627-34 |
Immobility: MAC Human (atm) | 0.0076 | Taheri S, Halsey MJ, Liu J, et al. Anesth Analg 1991;72:627-34 |
Righting Reflex: Mouse ED50 (atm) | 0.00645 ± 0.0002 (n=42) | Deady JE, Koblin DD, Eger EI II, et al. Anesth Analg 1981;60:380-4 |
Physical Properties | ||
Saline / Gas Partition Coeff. at 37°C | 0.706 | |
Olive Oil / Gas Partition Coeff. at 37°C | 224 ± 9 (n=4) | Taheri S, Halsey MJ, Liu J, et al. Anesth Analg 1991;72:627-34 |
Octanol / Gas Partition Coeff. at 37°C | 315 ± 17 (n=4) | Taheri S, Halsey MJ, Liu J, et al. Anesth Analg 1991;72:627-34 |
Blood / Gas Partition Coeff. at 37°C | 2.4 | Steward A, Allott PR, Cowles AL & Mapleson WW. Br J Anaesth 1973;45:282-93 |
Benzene / Gas Partition Coeff. at 37°C | 596 ± 10 (n=4) | Taheri S, Halsey MJ, Liu J, et al. Anesth Analg 1991;72:627-34 |
Intralipid / Gas Partition Coeff. at 37°C | 41 ± 0.8 (n=4) | Taheri S, Halsey MJ, Liu J, et al. Anesth Analg 1991;72:627-34 |
Lecithin / Gas Partition Coeff. at 37°C | 98.6 ± 1.7 (n=8) | Taheri S, Halsey MJ, Liu J, et al. Anesth Analg 1991;72:627-34 |
Water / Gas Partition Coeff. at 37°C | 0.8 | Steward A, Allott PR, Cowles AL & Mapleson WW. Br J Anaesth 1973;45:282-93 |
Calculated Molecular Properties | ||
van der Waals Volume | 91 Å3 | |
van der Waals Surface Area | 126 Å2 | |
Solvent Accessible Volume | 353 Å3 | (based on a 1.4Å probe) |
Solvent Accessible Surface Area | 258 Å2 | (based on a 1.4Å probe) |
All values are mean ± SD, except
data labelled with † which are mean ± SEM.
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Database Version: 1.09.9 Last Updated: 21st February 2014
Database Version: 1.09.9 Last Updated: 21st February 2014