NAV

Xibornol

This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

Identification

Summary

Xibornol is a lipophilic antiseptic indicated as an adjunct in the treatment of susceptible oral infections.

Generic Name
Xibornol
DrugBank Accession Number
DB13714
Background

Not Available

Type
Small Molecule
Groups
Experimental
Structure
3D
Similar Structures
Weight
Average: 258.405
Monoisotopic: 258.198365457
Chemical Formula
C18H26O
Synonyms
  • Xibornol
Poor quality drug data slowing you down?
Unlock 38% more drug discovery time and eliminate decision-making doubts with this one-stop guide to quality drug data.
Download eBook
Poor quality drug data slowing you down?
Download eBook

Pharmacology

Indication

Not Available

Reduce drug development failure rates
Build, train, & validate machine-learning models
with evidence-based and structured datasets.
See how
Build, train, & validate predictive machine-learning models with structured datasets.
See how
Associated Conditions
Indication TypeIndicationCombined Product DetailsApproval LevelAge GroupPatient CharacteristicsDose Form
Used as adjunct for symptomatic treatment ofAcute tonsillitis•••••••••••••••••• ••••••••••
Used as adjunct for symptomatic treatment ofChronic tonsillitis•••••••••••••••••• ••••••••••
Used as adjunct for symptomatic treatment ofLaryngitis•••••••••••••••••• ••••••••••
Maintenance ofOral hygiene•••••••••••••••••• ••••••••••
Used as adjunct for symptomatic treatment ofPharyngitis•••••••••••••••••• ••••••••••
Associated Therapies
Contraindications & Blackbox Warnings
Prevent Adverse Drug Events Today
Tap into our Clinical API for life-saving information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.
Learn more
Avoid life-threatening adverse drug events with our Clinical API
Learn more
Pharmacodynamics

Not Available

Mechanism of action
Not Available
Absorption

Not Available

Volume of distribution

Not Available

Protein binding

Not Available

Metabolism
Not Available
Route of elimination

Not Available

Half-life

Not Available

Clearance

Not Available

Adverse Effects
Improve decision support & research outcomes
With structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!
See the data
Improve decision support & research outcomes with our structured adverse effects data.
See a data sample
Toxicity

Not Available

Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.
Not Available
Food Interactions
Not Available

Products

Drug product information from 10+ global regions
Our datasets provide approved product information including:
dosage, form, labeller, route of administration, and marketing period.
Access now
Access drug product information from over 10 global regions.
Access now

Categories

ATC Codes
J01XX02 — Xibornol
Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as cyclohexylphenols. These are compounds containing a cyclohexane lined to a phenol group.
Kingdom
Organic compounds
Super Class
Benzenoids
Class
Benzene and substituted derivatives
Sub Class
Cyclohexylphenols
Direct Parent
Cyclohexylphenols
Alternative Parents
Bicyclic monoterpenoids / Aromatic monoterpenoids / o-Xylenes / Para cresols / Meta cresols / 1-hydroxy-2-unsubstituted benzenoids / Organooxygen compounds / Hydrocarbon derivatives
Substituents
1-hydroxy-2-unsubstituted benzenoid / Aromatic homopolycyclic compound / Aromatic monoterpenoid / Bicyclic monoterpenoid / Bornane monoterpenoid / Cyclohexylphenol / Hydrocarbon derivative / M-cresol / Monoterpenoid / Norbornane monoterpenoid
Molecular Framework
Aromatic homopolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
RQ12GMY0FZ
CAS number
13741-18-9
InChI Key
RNRHMQWZFJXKLZ-JCKWVBRZSA-N
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+/m0/s1
IUPAC Name
4,5-dimethyl-2-[(1R,2S,4S)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl]phenol
SMILES
CC1=CC(O)=C(C=C1C)[C@H]1C[C@@H]2CC[C@@]1(C)C2(C)C

References

General References
Not Available
ChemSpider
32700938
RxNav
39823
ZINC
ZINC000113216504
Wikipedia
Xibornol

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
FormRouteStrength
Spray, suspensionBuccal
Prices
Not Available
Patents
Not Available

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.00348 mg/mLALOGPS
logP5.96ALOGPS
logP5.36Chemaxon
logS-4.9ALOGPS
pKa (Strongest Acidic)10.86Chemaxon
pKa (Strongest Basic)-5.2Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count1Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area20.23 Å2Chemaxon
Rotatable Bond Count1Chemaxon
Refractivity80.51 m3·mol-1Chemaxon
Polarizability31.33 Å3Chemaxon
Number of Rings3Chemaxon
Bioavailability1Chemaxon
Rule of FiveNoChemaxon
Ghose FilterYesChemaxon
Veber's RuleYesChemaxon
MDDR-like RuleNoChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted GC-MS Spectrum - GC-MSPredicted GC-MSsplash10-0006-1980000000-e98f8519a1d25557ee8d
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-01ot-0910000000-d0cb67ef7aa66153bc2f
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0a4i-0090000000-bee9319da2a05e29bcac
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0a4i-0900000000-59d9d497170e433d20d2
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0a4i-0090000000-d7eab6b2574371edb297
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0a4i-0900000000-0b328afa1233237c32c7
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0a4i-2970000000-04258de86f6ad44da29a
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-168.71695
predicted
DeepCCS 1.0 (2019)
[M+H]+171.07494
predicted
DeepCCS 1.0 (2019)
[M+Na]+178.33632
predicted
DeepCCS 1.0 (2019)

Drug created at June 23, 2017 20:47 / Updated at May 29, 2021 18:12