CHEBI:5615 - halothane

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ChEBI Name halothane
ChEBI ID CHEBI:5615
Definition A haloalkane comprising ethane having three flouro substituents at the 1-position as well as bromo- and chloro substituents at the 2-position.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C2HBrClF3
Net Charge 0
Average Mass 197.38125
Monoisotopic Mass 195.890
InChI InChI=1S/C2HBrClF3/c3-1(4)2(5,6)7/h1H
InChIKey BCQZXOMGPXTTIC-UHFFFAOYSA-N
SMILES [H]C(Cl)(Br)C(F)(F)F
Roles Classification
Application(s): inhalation anaesthetic

View more via ChEBI Ontology
ChEBI Ontology
Outgoing halothane (CHEBI:5615) has role inhalation anaesthetic (CHEBI:38870)
halothane (CHEBI:5615) is a haloalkane (CHEBI:24469)
halothane (CHEBI:5615) is a organobromine compound (CHEBI:37141)
halothane (CHEBI:5615) is a organochlorine compound (CHEBI:36683)
halothane (CHEBI:5615) is a organofluorine compound (CHEBI:37143)
Incoming (R)-halothane (CHEBI:49646) is a halothane (CHEBI:5615)
(S)-halothane (CHEBI:36065) is a halothane (CHEBI:5615)
IUPAC Name
2-bromo-2-chloro-1,1,1-trifluoroethane
Synonyms Sources
1,1,1-trifluoro-2-bromo-2-chloroethane NIST Chemistry WebBook
1,1,1-trifluoro-2-chloro-2-bromoethane NIST Chemistry WebBook
1-bromo-1-chloro-2,2,2-trifluoroethane NIST Chemistry WebBook
2,2,2-trifluoro-1-chloro-1-bromoethane NIST Chemistry WebBook
2-bromo-2-chloro-1,1,1-trifluoroethane NIST Chemistry WebBook
bromochlorotrifluoroethane NIST Chemistry WebBook
Fluothane NIST Chemistry WebBook
Halothane KEGG COMPOUND
Narcotane ChemIDplus
Phthorothanum ChemIDplus
Rhodialothan NIST Chemistry WebBook
Database Links Databases
1356 DrugCentral
C07515 KEGG COMPOUND
D00542 KEGG DRUG
DB01159 DrugBank
Halothane Wikipedia
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Registry Numbers Types Sources
151-67-7 CAS Registry Number ChemIDplus
151-67-7 CAS Registry Number NIST Chemistry WebBook
1736947 Beilstein Registry Number Beilstein
793752 Gmelin Registry Number Gmelin
Citation Waiting for Citations Type Source
7519986 PubMed citation Europe PMC
Last Modified
17 October 2017