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13838-16-9 分子结构
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2-chloro-1-(difluoromethoxy)-1,1,2-trifluoroethane

ChemBase编号:113
分子式:C3H2ClF5O
平均质量:184.492396
单一同位素质量:183.97143346
SMILES和InChIs

SMILES:
ClC(F)C(F)(F)OC(F)F
Canonical SMILES:
FC(OC(C(Cl)F)(F)F)F
InChI:
InChI=1S/C3H2ClF5O/c4-1(5)3(8,9)10-2(6)7/h1-2H
InChIKey:
JPGQOUSTVILISH-UHFFFAOYSA-N

引用这个纪录

CBID:113 http://www.chembase.cn/molecule-113.html

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名称和登记号

名称和登记号

名称 登记号
IUPAC标准名
2-chloro-1-(difluoromethoxy)-1,1,2-trifluoroethane
IUPAC传统名
enflurane
商标名
Alyrane
Efrane
Ethrane
别名
2-氯-1,1,2-三氟乙基 二氟甲基 醚
Anesthetic 347
Anesthetic Compound No. 347
Compound 347
Enflurano [INN-Spanish]
Enfluranum [INN-Latin]
Methylflurether
Ohio 347
Enflurane
2-Chloro-1,1,2-trifluoroethyl difluoromethyl ether
2-Chloro-1-(difluoromethoxy)-1,1,2-trifluoroethane
Enflurane
4-Chloro-1H,4H-perfluoro(2-oxabutane) 99+%
2-Chloro-1,1,2-trifluoroethyl difluoromethyl ether
2-chloro-1-(difluoromethoxy)-1,1,2-trifluoroethane
2-Chloro-1,1,2-trifluoroethyl difluoromethyl ether
CAS号
13838-16-9
EC号
237-553-4
MDL号
MFCD00069095
Beilstein号
1737129
默克索引号
143581
PubChem SID
160963576
46505314
PubChem CID
3226
CHEBI ID
4792
ATC码
N01AB04
CHEMBL
1257
Chemspider ID
3113
DrugBank ID
DB00228
KEGG ID
D00543
美国药典/FDA物质标识码
91I69L5AY5
维基百科标题
Enflurane

理论计算性质

理论计算性质

JChem ALOGPS 2.1
质子受体 质子供体
LogD (pH = 5.5) 2.7992094  LogD (pH = 7.4) 2.7992094 
Log P 2.7992094  摩尔折射率 23.0654 cm3
极化性 8.945335 Å3 极化表面积 9.23 Å2
可自由旋转的化学键 里宾斯基五规则 true 
Log P 2.24  LOG S -1.67 
溶解度 3.90e+00 g/l 

分子性质

分子性质

理化性质 安全信息 药理学性质 产品相关信息 生物活性(PubChem)
溶解度
Practically insoluble (5620 mg/L) expand 查看数据来源
沸点
56°C expand 查看数据来源
56-57°C expand 查看数据来源
闪点
None expand 查看数据来源
密度
1.517 expand 查看数据来源
折射率
1.303 expand 查看数据来源
1.3030 expand 查看数据来源
疏水性(logP)
2.1 expand 查看数据来源
2.459 expand 查看数据来源
保存注意事项
Irritant/Keep Cold expand 查看数据来源
RTECS编号
KN6800000 expand 查看数据来源
欧盟危险性物质标志
刺激性(Irritant) 刺激性(Irritant) (Xi) expand 查看数据来源
MSDS下载
下载链接 expand 查看数据来源
危险公开号
36 expand 查看数据来源
安全公开号
26 expand 查看数据来源
TSCA收录
false expand 查看数据来源
expand 查看数据来源
GHS危险品标识
GHS07 expand 查看数据来源
GHS危险声明
H319 expand 查看数据来源
GHS警示性声明
P280-P264-P305+P351+P338-P337+P313 expand 查看数据来源
蛋白结合率
97% expand 查看数据来源
纯度
95% expand 查看数据来源
97% expand 查看数据来源

详细说明

详细说明

DrugBank DrugBank Apollo Scientific Apollo Scientific Wikipedia Wikipedia
DrugBank -  DB00228 external link
Item Information
Drug Groups approved
Description An extremely stable inhalation anesthetic that allows rapid adjustments of anesthesia depth with little change in pulse or respiratory rate. [PubChem]
Indication Used for the induction and maintenance of general anaesthesia during surgery and cesarean section and also used for analgesia during vaginal delivery.
Pharmacology Enflurane is an extremely stable halogenated ether inhalation anesthetic that allows rapid adjustments of anesthesia depth with little change in pulse or respiratory rate. Enflurane induces muscle relaxation and reduces pains sensitivity by altering tissue excitability. Induction of and recovery from anesthesia with enflurane are rapid. Enflurane may provide a mild stimulus to salivation or tracheobronchial secretions. Pharyngeal and laryngeal reflexes are readily obtunded. In the cardiovascular system, enflurane is a mild negative inotrope, causing a marked decrease in systemic vascular resistance, thus leading to a decrease in mean arterial pressure. This results in a reflex tachycardia. Enflurane also decreases coronary vascular resistance and sensitizes the myocardium to circulating catecholamines. Enflurane is a strong respiratory depressant. It decreases tidal volume but may increase respiratory rate. It also causes bronchodilatationa and inhibits pulmonary macrophage activity and mucociliary activity. Enflurane principle action in the CNS is general anaesthesia with little analgesic effect. It causes increased cerebral blood flow in concentrations and may induce tonic/clonic muscle activity and epileptiform EEG traces. It also causes a marked decrease in skeletal muscle tone. Actions in the genitourinary system include a decreased renal blood flow and glomerular filtration rate and the tone of pregnant uterus is decreased.
Toxicity LD50=5.4 ml/kg (oral, rat). Symptoms of acute overdose include nausea, vomiting, irritation to the eyes, skin and nose/throat, headache, dizziness, and drowsiness. Symptoms of chronic overdose include hypotension, cardiac arrhythmias, respiratory depression, and liver/kidney dysfunction.
Affected Organisms
Humans and other mammals
Biotransformation 2.4% of the dose is slowly metabolized hepatically via oxidation and dehalogenation (primarily through the actions of cytochrome P450 2E1). Leads to low levels of serum fluoride (15 µmol/L).
Absorption Rapidly absorbed into the circulation via the lungs.
Protein Binding 97%
References
[Link]
External Links
Wikipedia
Apollo Scientific Ltd -  PC2040 external link
Useful solvent for dispersing fluorinated materials.Anaesthetic properties, Terrell et al., J. Med. Chem., 1971, 14, 517. *Not anaesthetic grade*

参考文献

参考文献

供应商提供 Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • Useful solvent for dispersing fluorinated materials. (NOT anaesthetic grade).
  • Link
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专利

专利

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互联网资源

互联网资源

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