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CHEBI:131713 - xibornol

ChEBI IDCHEBI:131713
ChEBI Namexibornol
Stars
DefinitionA bridged compound that is 3,4-xylenol carrying an additional isobornyl substituent at position 6. A lipophilic antibacterial drug mainly used in spray dosage forms for the local treatment of infection and inflammation of the throat.
Last Modified22 February 2017
SubmitterKevin
DownloadsMolfile
FormulaC18H26O
Net Charge0
Average Mass258.405
Monoisotopic Mass258.19837
SMILES[H][C@@]12CC[C@@](C)([C@H](c3cc(C)c(C)cc3O)C1)C2(C)C
InChIInChI=1S/C18H26O/c1-11-8-14(16(19)9-12(11)2)15-10-13-6-7-18(15,5)17(13,3)4/h8-9,13,15,19H,6-7,10H2,1-5H3/t13-,15+,18+/m1/s1
InChIKeyRNRHMQWZFJXKLZ-XUWXXGDYSA-N
Wikipedia
Roles Classification
Biological Role:
antibacterial drug  A drug used to treat or prevent bacterial infections.
Application:
antibacterial drug  A drug used to treat or prevent bacterial infections.
ChEBI Ontology
Outgoing Relation(s)
xibornol (CHEBI:131713) has parent hydride bornane (CHEBI:35783)
xibornol (CHEBI:131713) has role antibacterial drug (CHEBI:36047)
xibornol (CHEBI:131713) is a bridged compound (CHEBI:35990)
xibornol (CHEBI:131713) is a phenols (CHEBI:33853)
IUPAC Name 
4,5-dimethyl-2-[(1S,2R,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl]phenol
INNs  Source
xibornolChemIDplus
xibornolumChemIDplus
xibornolChEBI
xibornolChEBI
Synonyms  Source
6-Isobornyl-3,4-xylenolChemIDplus
(exo)-4,5-Dimethyl-2-(1,7,7-trimethylbicyclo(2.2.1)hept-2-yl)phenolChemIDplus
Manual XrefsDatabases
XibornolWikipedia
D07433KEGG DRUG
2851DrugCentral
Registry NumbersSources
Reaxys:2561603Reaxys
CAS:13741-18-9KEGG DRUG
CAS:13741-18-9ChemIDplus
Citations