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...

General Information

Structure

Molecular Formula

C₂HBrClF₃

Molecular Mass

197.3815496

Exact Mass

195.89022437

Charge

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

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

2.1193552

LogD (pH = 7.4)

2.1193552

Log P

2.1193552

Molar Refractivity

24.6331

Polarizability

9.491309

Polar Surface Area

0.0

Rotatable Bonds

Lipinski's Rule of Five

true

ALOGPS 2.1

Log P

2.5

LOG S

-1.71

Solubility (Water)

3.81e+00 g/l

Data Source

Names and Identifiers

Brand Name

FluktanHalotanHalanNarkotanAnestanRhodialothanNarcotaneHalsanChalothaneHalothaneFluothaneNarcotanPhthorothanum

Synonyms

Narcotann Ne-Spofa [Russian]FtuorotanFreon 123b1FluorothaneFtorotan [Russian]Halotano [INN-Spanish]Cf3chclbrFluorotane2-Bromo-2-Chloro-1,1,1-TrifluoroethaneAlotano [Dcit]BromochlorotrifluoroethaneHalothanum [INN-Latin]BromchlortrifluoraethanumHalothanHalothaneHalothane1-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 name

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

IUPAC Traditional name

halothane

Names and Identifiers

Registration numbers

Merck Index

144603

EC Number

205-796-5

CAS Number

151-67-7

PubChem SID

465065892489177216096449324850204

PubChem CID

Beilstein Number

MDL Number

DrugBank ID

Chemspider ID

Unique Ingredient Identifier

KEGG ID

CHEBI ID

ATC CODE

CHEMBL

Wikipedia Title

IUPHAR ligand ID

Registration numbers

Properties

Pharmacology Properties

Hepatic (CYP2E1)

Renal

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

Safety Information

Acute toxicity (oral, dermal, inhalation), category 4

Skin irritation, category 2

Eye irritation, category 2

Skin sensitisation, category 1

Specific Target Organ Toxicity – Single exposure, category 3

Properties

Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

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

Packaging
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

Molecule Details

References

PubChem Literature

From Data Sources

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

References

Bioactivity

PubChem BioAssay

Bioactivity