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CHEBI:4445 - desflurane

Default Structure
ChEBI IDCHEBI:4445
ChEBI Namedesflurane
Stars
Last Modified22 February 2017
DownloadsMolfile
FormulaC3H2F6O
Net Charge0
Average Mass168.036
Monoisotopic Mass168.00098
SMILESFC(F)OC(F)C(F)(F)F
InChIInChI=1S/C3H2F6O/c4-1(3(7,8)9)10-2(5)6/h1-2H
InChIKeyDPYMFVXJLLWWEU-UHFFFAOYSA-N
Wikipedia
Roles Classification
Application:
ChEBI Ontology
Outgoing Relation(s)
desflurane (CHEBI:4445) has functional parent methoxyethane (CHEBI:39832)
desflurane (CHEBI:4445) has role inhalation anaesthetic (CHEBI:38870)
desflurane (CHEBI:4445) is a organofluorine compound (CHEBI:37143)
Incoming Relation(s)
(R)-desflurane (CHEBI:38874) is a desflurane (CHEBI:4445)
(S)-desflurane (CHEBI:38875) is a desflurane (CHEBI:4445)
IUPAC Name 
2-(difluoromethoxy)-1,1,1,2-tetrafluoroethane
Synonyms  Source
1,1,1,2-tetrafluoro-2-(difluoromethoxy)ethaneNIST Chemistry WebBook
(±)-2-difluoromethyl 1,2,2,2-tetrafluoroethyl etherChemIDplus
DesfluraneKEGG COMPOUND
difluoromethyl 1,2,2,2-tetrafluoroethyl etherIUPAC
SupraneChemIDplus
Manual XrefsDatabases
811DrugCentral
C07519KEGG COMPOUND
D00546KEGG DRUG
DB01189DrugBank
DesfluraneWikipedia
Registry NumbersSources
Beilstein:7286887Beilstein
CAS:57041-67-5NIST Chemistry WebBook
CAS:57041-67-5KEGG COMPOUND
CAS:57041-67-5ChemIDplus