CAS 151-67-7|Fluktan|Narcotann Ne-Spofa [Russian]|2-bromo-2-chloro-1,1,1-trifluoroethane|Halotan|Halan|Narkotan|Ftuorotan|Freon 123b1|Anestan|Fluorothane|Ftorotan [Russian]|Halotano [INN-Spanish]|Cf...

基本信息

化学结构

分子式

C₂HBrClF₃

分子量

197.3815496

精确质量

195.89022437

电荷

InChI

InChI=1S/C2HBrClF3/c3-1(4)2(5,6)7/h1H

InChIKey

BCQZXOMGPXTTIC-UHFFFAOYSA-N

Canonic Smiles

ClC(C(F)(F)F)Br

Isomeric Smiles

BrC(Cl)C(F)(F)F

计算属性

JChem

质子受体

质子供体

LogD (pH = 5.5)

2.1193552

LogD (pH = 7.4)

2.1193552

Log P

2.1193552

摩尔折射率

24.6331

极化性

9.491309

极化表面积

0.0

可自由旋转的化学键

里宾斯基五规则

true

ALOGPS 2.1

Log P

2.5

LOG S

-1.71

溶解度

3.81e+00 g/l

数据来源

名称和标识

商标名

HalotanNarkotanFluktanHalanAnestanNarcotaneHalsanRhodialothanNarcotanHalothaneFluothanePhthorothanumChalothane

别名

FluorothaneFreon 123b1Ftorotan [Russian]Narcotann Ne-Spofa [Russian]FtuorotanFluorotaneAlotano [Dcit]2-Bromo-2-Chloro-1,1,1-TrifluoroethaneCf3chclbrHalotano [INN-Spanish]HalothaneBromochlorotrifluoroethaneHalothanum [INN-Latin]BromchlortrifluoraethanumHalothanHalothane1-Bromo-1-chloro-2,2,2-trifluoroethane1-溴-1-氯-2,2,2-三氟乙烷2-Bromo-2-chloro-1,1,1-trifluoroethane

IUPAC标准名

2-bromo-2-chloro-1,1,1-trifluoroethane

IUPAC传统名

halothane

名称和标识

数据登录号

默克索引号

144603

EC号

205-796-5

CAS号

151-67-7

PubChem SID

465065892489177216096449324850204

PubChem CID

Beilstein号

MDL号

DrugBank ID

Chemspider ID

美国药典/FDA物质标识码

KEGG ID

CHEBI ID

ATC码

CHEMBL

维基百科标题

IUPHAR配体索引

数据登录号

化合物性质

药理学性质

Hepatic (CYP2E1)

Renal

human ... ATP5D(513), GLRA1(2741), GRIA1(2890), KCNN4(3783)

安全信息

急性毒性（口服，皮肤接触，吸入），类别4

皮肤刺激，类别2

眼刺激，类别2

皮肤过敏，类别1

特定目标器官毒性 -一次接触，类别3

化合物性质

分子相关蛋白质

暂无数据

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分子图谱

暂无数据

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描述信息

DrugBank

DB01159

Drug Groups

approved

Description

A nonflammable, halogenated, hydrocarbon anesthetic that provides relatively rapid induction with little or no excitement. Analgesia may not be adequate. nitrous oxide is often given concomitantly. Because halothane may not produce sufficient muscle relaxation, supplemental neuromuscular blocking agents may be required. (From AMA Drug Evaluations Annual, 1994, p178)

Indication

For the induction and maintenance of general anesthesia

Pharmacology

Halothane is a general inhalation anesthetic used for induction and maintenance of general anesthesia. It reduces the blood pressure and frequently decreases the pulse rate and depresses respiration. 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.

Toxicity

Toxic effects of halothane include malignant hyperthermia and hepatitis.

Affected Organisms

Humans and other mammals

Biotransformation

Halothane is metabolized in the liver, primarily by CYP2E1, and to a lesser extent by CYP3A4 and CYP2A6.

References

• Bovill JG: Inhalation anaesthesia: from diethyl ether to xenon. Handb Exp Pharmacol. 2008;(182):121-42. [Pubmed]

External Links

• [Wikipedia]

• [RxList]

Wikipedia

Halothane

Sigma Aldrich

B4388

包装
125, 250 mL in glass bottle
Application
2-Bromo-2-chloro-1,1,1-trifluoroethane, or halothane, has been used in a study that combined molecular simulations with free energy simulations to study solvation of halothane in polarizable water and methanol. Halothane has also been used in a study to investigate the interaction of anesthetics with the Rho GTPase regulator Rho GDP dissociation inhibitor.
Biochem/physiol Actions
Inhalation anesthetic. In an effect believed to be independent of anesthesia, halothane inhibits synthesis of 5-hydroxytryptamine in brain tissue, probably at the tryptophan hydroxylase step.1

16730

Biochem/physiol Actions
Inhalation anesthetic. In an effect believed to be independent of anesthesia, halothane inhibits synthesis of 5-hydroxytryptamine in brain tissue, probably at the tryptophan hydroxylase step.1

描述信息

参考文献

PubChem文献

数据源提供

• Bovill JG: Inhalation anaesthesia: from diethyl ether to xenon. Handb Exp Pharmacol. 2008;(182):121-42. Pubmed

参考文献

生物活性

PubChem BioAssay

生物活性