DICL_CP_0311420 - DICL Database

Basic Molecular Information

Basic Information

DICL ID

DICL_CP_0311420

PubChem CID

3562

Molecular Formula

C₂HBrClF₃

Molecular Weight

197.381 g/mol

Synonyms/Alias

[halothane; 151-67-7; 2-BROMO-2-CHLORO-1;1;1-TRIFLUOROETHANE; Fluothane; Narcotane; Rhodialothan; Anestan; Bromochlorotrifluoroethane; Phthorothanum; Ftuorotan; Halothan; Narcotan; Fluorotane; Fluktan...[halothane; 151-67-7; 2-BROMO-2-CHLORO-1;1;1-TRIFLUOROETHANE; Fluothane; Narcotane; Rhodialothan; Anestan; Bromochlorotrifluoroethane; Phthorothanum; Ftuorotan; Halothan; Narcotan; Fluorotane; Fluktan; Ftorotan; Narkotan; Halotano; Freon 123B1; Halotan; Halsan; Halan; Chalothane; Halothanum; Alotano; Bromchlortrifluoraethanum; Ftorotan [Russian]; Alotano [DCIT]; 1;1;1-Trifluoro-2-chloro-2-bromoethane; 1-Bromo-1-chloro-2;2;2-trifluoroethane; Ethane; 2-bromo-2-chloro-1;1;1-trifluoro-; 1;1;1-Trifluoro-2-bromo-2-chloroethane; 2;2;2-Trifluoro-1-chloro-1-bromoethane; Halotano [INN-Spanish]; Halothanum [INN-Latin]; Narcotann ne-spofa; Narcotann NE-spofa [Russian]; CF3CHClBr; CCRIS 6244; CHEBI:5615; 2-Brom-2-chlor-1;1;1-trifluorethan; NSC 143490; HSDB 6753; UNII-UQT9G45D1P; EINECS 205-796-5; UQT9G45D1P; NSC-143490; BRN 1736947; DTXSID4025371; Ethane; 1-bromo-1-chloro-2;2;2-trifluoro-; MFCD00009602; CHEMBL931; DTXCID605371; Halothane [USP:INN:BAN:JAN]; NSC143490; NCGC00090868-01; Halotano (INN-Spanish); Halothanum (INN-Latin); HALOTHANE (MART.); HALOTHANE [MART.]; HALOTHANE (EP IMPURITY); HALOTHANE [EP IMPURITY]; Ethane; bromochlorotrifluoro-; HALOTHANE (EP MONOGRAPH); HALOTHANE [EP MONOGRAPH]; (+/-)-2-BROMO-2-CHLORO-1;1;1-TRIFLUOROETHANE; HALOTHANE (USP MONOGRAPH); Halothane (USP:INN:BAN:JAN); HALOTHANE [USP MONOGRAPH]; ETHANE; 2-BROMO-2-CHLORO-1;1;1-TRIFLUORO-;(+/-)-; Fluothane (TN); CAS-151-67-7; Halothane [Anaesthetics; volatile]; Fluotane; (+-)-2-Bromo-2-chloro-1;1;1-trifluoroethane; Halothanum (Latin); 2;2;2-trifluoro-1-bromo-1-chloroethane; WLN: GYEXFFF; HALOTHANE [INN]; HALOTHANE [JAN]; HALOTHANE [MI]; Ethane;1;1-trifluoro-; Halon 2311; HALOTHANE [HSDB]; HALOTHANE [VANDF]; Epitope ID:150925; (.+/-.))-Halothane; Fluothane; Halothane; USP; HALOTHANE [WHO-DD]; HALOTHANE [WHO-IP]; SCHEMBL25588; Halothane (JP17/USP/INN); HALOTHANE [GREEN BOOK]; GTPL2401; HALOTHANE [ORANGE BOOK]; Ethane; 2-bromo-2-chloro-1;1;1-trifluoro-; (+-)-; BCQZXOMGPXTTIC-UHFFFAOYSA-; N01AB01; HALOTHANUM [WHO-IP LATIN]; HMS2094K17; HMS3885H08; Pharmakon1600-01505434; 51230-18-3; HY-B1010; Tox21_111033; Tox21_200850; BDBM50112212; NSC760138; s4570; AKOS006227959; Tox21_111033_1; 1;1-Trifluoro-2-bromo-2-chloroethane; 1;1-Trifluoro-2-chloro-2-bromoethane; 2;2-Trifluoro-1-chloro-1-bromoethane; 2-Bromo-2-chloro-1;1-trifluoroethane; CCG-213438; CS-4523; DB01159; NSC-760138; R 123B1; 1;1;1-trifluoro-2;2-chlorobromoethane; 1-bromo-1-chloro-2;2;2-trifluorethane; NCGC00090868-02; NCGC00090868-03; NCGC00090868-05; NCGC00090868-06; NCGC00258404-01; TS-07651; SBI-0206928.P001; DB-043111; NS00009038; EN300-90288; C07515; D00542; H11280; Q32921; (2RS)-2-Bromo-2-chloro-1;1;1-trifluoroethane; AB01563314_01; SR-05000001969; 2-Bromo-2-chloro-1;1;1-trifluoroethane; >=99%; InChI=1/C2HBrClF3/c3-1(4)2(5;6)7/h1H; J-008834; SR-05000001969-1; Z1201617125; 2-Bromo-2-chloro-1 pound not1 pound not1-trifluoroethane; 2-Bromo-2-chloro-1;1;1-trifluoroethane; >=99.0% (GC); Halothane; United States Pharmacopeia (USP) Reference Standard]

InChI Key

BCQZXOMGPXTTIC-UHFFFAOYSA-N

InChI

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

IUPAC Name

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

CAS Number

151-67-7

Structure Information

Chemical Structure Visualization

SMILES Notation

2D Molecular Drawing

Carbon (C)

Hydrogen (H)

Oxygen (O)

Nitrogen (N)

Sulfur (S)

SDF

7 6 0 0 0 0 0 0 0 0999 V2000
-0.8571 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6429 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1429 -0...

Download SDF File (664 bytes)

Experimental Data

Activity Data

Target Ion Channel

Intermediate conductance calcium-activated potassium channel protein 4

Uniprot Accession Number

O15554

Function

Inhibitor

Species

Homo sapiens (Human)

IC₅₀

IC₅₀: 690000 nM

EC₅₀

N/A (Not available)

K_i

N/A (Not available)

K_d

N/A (Not available)

Inhibition

N/A (Not available)

Experimental Conditions

pH 7.2

Holding Potential

−100 mV mV

Temperature

18 °C

Test Method

Patch-clamping

Test Species

Xenopus laevis oocyte

Binding Information

Binding Site

Not specified

Binding Site Residue

Not specified

Disease Information

Related Disease

Not specified

References

DOI

10.1016/s0014-2999(00)00254-5

URL

N/A (Not available)

PMID

10794813

Patent

N/A (Not available)

Computed Properties

Heavy Atom Count

Rotatable Bonds

logP

2.5085

Complexity

24.623

TPSA (Å²)

H-Bond Donors

H-Bond Acceptors

Ring Count

New Search

Molecular Details

Basic Molecular Information

Basic Information

Structure Information

Chemical Structure Visualization

Experimental Data

Activity Data

Experimental Conditions

Binding Information

Disease Information

References

Computed Properties