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

• ChemBase编号: 1060
• 分子式: C3H2F6O
• 平均质量: 168.0377992
• 单一同位素质量: 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

名称和登记号

名称

• IUPAC标准名: 2-(difluoromethoxy)-1,1,1,2-tetrafluoroethane
• IUPAC传统名: desflurane
• 商标名: Suprane
• 别名: 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

登记号

• CAS号: 57041-67-5
• MDL号: MFCD00236716
• PubChem SID: 160964523; 46505270
• PubChem CID: 42113
• CHEBI ID: 4445
• ATC码: N01AB07
• CHEMBL: 1200733
• Chemspider ID: 38403
• DrugBank ID: DB01189
• KEGG ID: D00546
• 美国药典/FDA物质标识码: CRS35BZ94Q
• 维基百科标题: Desflurane

理论计算性质

JChem

• Acid pKa: 18.870108
• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 2.402511
• LogD (pH = 7.4): 2.402511
• Log P: 2.402511
• 摩尔折射率: 18.1205 cm^3
• 极化性: 7.1424913 Å^3
• 极化表面积: 9.23 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

ALOGPS 2.1

• Log P: 2.19
• LOG S: -1.68
• 溶解度: 3.54e+00 g/l

分子性质

理化性质

• 溶解度: Negligible
• 沸点: 23-24°C
• 闪点: none°C
• 密度: 1.44
• 疏水性(logP): 1.9

安全信息

• 保存注意事项: IRRITANT; Irritant
• TSCA收录: false

药理学性质

• 半衰期: Elimination dependent on minute ventilation
• 代谢: Not metabolized

产品相关信息

• 纯度: 99%

详细说明

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