2-(difluoromethoxy)-1,1,1,2-tetrafluoroethane

• ChemBase ID: 1060
• Molecular Formular: C3H2F6O
• Molecular Mass: 168.0377992
• Monoisotopic Mass: 168.000984
• SMILES: FC(OC(F)F)C(F)(F)F
• Canonical SMILES: FC(OC(C(F)(F)F)F)F
• InChI: InChI=1S/C3H2F6O/c4-1(3(7,8)9)10-2(5)6/h1-2H
• InChIKey: DPYMFVXJLLWWEU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(difluoromethoxy)-1,1,1,2-tetrafluoroethane
• IUPAC Traditional name: desflurane
• Brand Name: Suprane
• Synonyms: Difluoromethyl 1,2,2,2-tetrafluoroethyl ether; 1H,3H-Perfluoro(2-oxabutane) 99%; Desflurano [INN-Spanish]; Desfluranum [INN-Latin]; Desflurane; 1,2,2,2-Tetrafluoroethyl difluoromethyl ether

Database IDs

• CAS Number: 57041-67-5
• MDL Number: MFCD00236716
• PubChem SID: 160964523; 46505270
• PubChem CID: 42113
• CHEBI ID: 4445
• ATC CODE: N01AB07
• CHEMBL: 1200733
• Chemspider ID: 38403
• DrugBank ID: DB01189
• KEGG ID: D00546
• Unique Ingredient Identifier: CRS35BZ94Q
• Wikipedia Title: Desflurane

CALCULATED PROPERTIES

JChem

• Acid pKa: 18.870108
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.402511
• LogD (pH = 7.4): 2.402511
• Log P: 2.402511
• Molar Refractivity: 18.1205 cm^3
• Polarizability: 7.1424913 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

ALOGPS 2.1

• Log P: 2.19
• LOG S: -1.68
• Solubility (Water): 3.54e+00 g/l

PROPERTIES

Physical Property

• Solubility: Negligible
• Boiling Point: 23-24°C
• Flash Point: none°C
• Density: 1.44
• Hydrophobicity(logP): 1.9

Safety Information

• Storage Warning: IRRITANT; Irritant
• TSCA Listed: false

Pharmacology Properties

• Half Life: Elimination dependent on minute ventilation
• Metabolism: Not metabolized

Product Information

• Purity: 99%

DETAILS

DrugBank - DB01189

• Drug Groups: approved
• Description: Desflurane is a highly fluorinated methyl ethyl ether used for maintenance of general anaesthesia. Volatile agents such as desflurane may activate GABA channels and hyperpolarize cell membranes. In addition, they may inhibit certain calcium channels and therefore prevent release of neurotransmitters and inhibit glutamate channels. Volatile anesthetics easily partition into cellular membranes and could expand the volume of the cell membrane and subsequently distort channels necessary for sodium ion flux and the development of action potentials necessary for synaptic transmission. Desflurane preconditions human myocardium against ischemia through activation of mitochondrial K(ATP) channels, adenosine A1 receptor, and alpha and beta adrenoceptors.
• Indication: For use as an inhalation agent for induction and/or maintenance of anesthesia for inpatient and outpatient surgery in adults.
• Pharmacology: Desflurane is a general inhalation anesthetic. It induces muscle relaxation and reduces pains sensitivity by altering tissue excitability. It does so by decreasing the extent of gap junction mediated cell-cell coupling and altering the activity of the channels that underlie the action potential.
• Affected Organisms: Humans and other mammals
• Biotransformation: Minimally biotransformed in the liver in humans (approximately 0.02% of the quantity absorbed).
• Absorption: Rapidly absorbed into the circulation via the lungs following inhalation.
• External Links: Wikipedia; RxList; Drugs.com

Apollo Scientific Ltd - PC6781E

Useful solvent for dispersing fluorinated materials. Not anaesthetic grade. Cylinder