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. Supplier Information ChemicalBook:CB8488628, eMolecules:484876 Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Wikipedia License Read full article at Wikipedia Formula C2HBrClF3 Net Charge 0 Average Mass 197.38125 Monoisotopic Mass 195.89022 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 Manual Xrefs Databases 1356 DrugCentral 1806 VSDB C07515 KEGG COMPOUND D00542 KEGG DRUG DB01159 DrugBank Halothane Wikipedia View more database links 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 Last Modified 17 October 2017