Electrostatic potential surface for M108
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 trans-Dioxychlorane
Molecular Formula C3H2Cl2F2O2
Chemical Group Other
Anaesthetic Type Inhalational: Conventional Agent
Chiral Structure No
molfield.org ID M108
CAS Number 60010-42-6
ChEMBL (External Link) -
ChEBI (External Link) -
Drug Bank (External Link) -
ChemSpider (External Link) 133618
PubChem (External Link) 151606
Chemicalize.org (External Link) CAS No 60010-42-6
SMILES String O1{R}C({R}C(OC1(F)F)Cl)Cl
Molecular Weight (g.mol-1) 178.95
In Vivo Activity Data
Immobility: MAC Dog (atm)0.0011 ± 0.0002 (n=4)Eger EI II, Koblin DD, Collins PA. Anesth Analg 1981;60:201-3
Physical Properties
Olive Oil / Gas Partition Coeff. at 37°C1286 ± 44Eger EI II, Koblin DD, Collins PA. Anesth Analg 1981;60:201-3
Calculated Molecular Properties
van der Waals Volume 114 Å3 
van der Waals Surface Area 141 Å2 
Solvent Accessible Volume 391 Å3(based on a 1.4Å probe)
Solvent Accessible Surface Area 277 Å2(based on a 1.4Å probe)
Notes
98% Compound in trans form
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