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Clofoctol

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

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Identification

Summary

Clofoctol is an antibacterial agent indicated in the treatment of respiratory infections; or prevention of infections after ear, nose, and throat surgery.

Generic Name
Clofoctol
DrugBank Accession Number
DB13237
Background

Not Available

Type
Small Molecule
Groups
Experimental
Structure
3D
Similar Structures
Weight
Average: 365.34
Monoisotopic: 364.1360709
Chemical Formula
C21H26Cl2O
Synonyms
  • Clofoctol
  • Clofoctolum
  • Octofene
External IDs
  • BRN 2478182
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Pharmacology

Indication

Not Available

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Associated Conditions
Indication TypeIndicationCombined Product DetailsApproval LevelAge GroupPatient CharacteristicsDose Form
Treatment ofTracheobronchial infection•••••••••••••••••••••••
Prophylaxis ofUpper respiratory tract infection•••••••••••••••••••••••
Treatment ofUpper respiratory tract infection•••••••••••••••••••••••
Contraindications & Blackbox Warnings
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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
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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

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Categories

ATC Codes
J01XX03 — Clofoctol
Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.
Kingdom
Organic compounds
Super Class
Benzenoids
Class
Benzene and substituted derivatives
Sub Class
Diphenylmethanes
Direct Parent
Diphenylmethanes
Alternative Parents
Phenylpropanes / Dichlorobenzenes / 1-hydroxy-2-unsubstituted benzenoids / Aryl chlorides / Organooxygen compounds / Organochlorides / Hydrocarbon derivatives
Substituents
1,3-dichlorobenzene / 1-hydroxy-2-unsubstituted benzenoid / Aromatic homomonocyclic compound / Aryl chloride / Aryl halide / Chlorobenzene / Diphenylmethane / Halobenzene / Hydrocarbon derivative / Organic oxygen compound
Molecular Framework
Aromatic homomonocyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
704083NI0R
CAS number
37693-01-9
InChI Key
HQVZOORKDNCGCK-UHFFFAOYSA-N
InChI
InChI=1S/C21H26Cl2O/c1-20(2,3)13-21(4,5)16-7-9-19(24)15(11-16)10-14-6-8-17(22)12-18(14)23/h6-9,11-12,24H,10,13H2,1-5H3
IUPAC Name
2-[(2,4-dichlorophenyl)methyl]-4-(2,4,4-trimethylpentan-2-yl)phenol
SMILES
CC(C)(C)CC(C)(C)C1=CC=C(O)C(CC2=C(Cl)C=C(Cl)C=C2)=C1

References

General References
  1. AIFA Package Leaflet: GRAMPLUS (clofoctol) rectal suppository [Link]
ChemSpider
2697
RxNav
21264
ChEBI
108581
ChEMBL
CHEMBL1476605
ZINC
ZINC000002149829
Wikipedia
Clofoctol

Clinical Trials

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Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
FormRouteStrength
SuppositoryRectal100 MG
SuppositoryRectal200 MG
SuppositoryRectal750 MG
Prices
Not Available
Patents
Not Available

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility3.62e-05 mg/mLALOGPS
logP7.62ALOGPS
logP7.99Chemaxon
logS-7ALOGPS
pKa (Strongest Acidic)10.28Chemaxon
pKa (Strongest Basic)-5.5Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count1Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area20.23 Å2Chemaxon
Rotatable Bond Count5Chemaxon
Refractivity104.28 m3·mol-1Chemaxon
Polarizability39.94 Å3Chemaxon
Number of Rings2Chemaxon
Bioavailability1Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
Veber's RuleYesChemaxon
MDDR-like RuleNoChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-03di-0009000000-a066fa8c2f5e1d97eb00
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-066r-9217000000-b107d119d83f578fd943
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-03di-0009000000-3e02b7fd0dece34ffa69
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0a4i-9121000000-c299e35ce5a7e80d59f9
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-053r-2179000000-e91f62de47272ea3423b
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-052e-9260000000-ed2bf6a13584d95b7b09
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]-190.72038
predicted
DeepCCS 1.0 (2019)
[M+H]+193.11778
predicted
DeepCCS 1.0 (2019)
[M+Na]+200.42662
predicted
DeepCCS 1.0 (2019)

Drug created at June 23, 2017 20:38 / Updated at June 05, 2021 09:13