CHEBI:131713 - xibornol

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ChEBI Name xibornol
ChEBI ID CHEBI:131713
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Kevin
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Formula C18H26O
Net Charge 0
Average Mass 258.399
Monoisotopic Mass 258.198
InChI InChI=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
InChIKey RNRHMQWZFJXKLZ-XUWXXGDYSA-N
SMILES [C@]12(CC[C@@](C1(C)C)(C[C@H]2C3=C(C=C(C(=C3)C)C)O)[H])C
Roles Classification
Biological Role(s): antibacterial drug
A drug used to treat or prevent bacterial infections.
Application(s): antibacterial drug
A drug used to treat or prevent bacterial infections.
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ChEBI Ontology
Outgoing 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 Sources
xibornol ChEBI
xibornol ChEBI
xibornol ChemIDplus
xibornolum ChemIDplus
Synonyms Sources
(exo)-4,5-Dimethyl-2-(1,7,7-trimethylbicyclo(2.2.1)hept-2-yl)phenol ChemIDplus
6-Isobornyl-3,4-xylenol ChemIDplus
Manual Xrefs Databases
2851 DrugCentral
D07433 KEGG DRUG
Xibornol Wikipedia
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Registry Numbers Types Sources
13741-18-9 CAS Registry Number KEGG DRUG
13741-18-9 CAS Registry Number ChemIDplus
2561603 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
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Last Modified
22 February 2017