NAV

Fenoxazoline

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

Identification

Generic Name
Fenoxazoline
DrugBank Accession Number
DB13736
Background

Not Available

Type
Small Molecule
Groups
Experimental
Structure
3D
Similar Structures
Weight
Average: 218.3
Monoisotopic: 218.141913208
Chemical Formula
C13H18N2O
Synonyms
  • Fenoxazoline
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Pharmacology

Indication

Not Available

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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.
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OxymetazolineThe absorption of Fenoxazoline can be decreased when combined with Oxymetazoline.
Food Interactions
Not Available

Categories

ATC Codes
R01AA12 — Fenoxazoline
Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as cumenes. These are aromatic compounds containing a prop-2-ylbenzene moiety.
Kingdom
Organic compounds
Super Class
Benzenoids
Class
Benzene and substituted derivatives
Sub Class
Cumenes
Direct Parent
Cumenes
Alternative Parents
Phenylpropanes / Phenoxy compounds / Phenol ethers / Alkyl aryl ethers / Imidolactams / Imidazolines / Propargyl-type 1,3-dipolar organic compounds / Carboximidamides / Carboxamidines / Azacyclic compounds
show 2 more
Substituents
2-imidazoline / Alkyl aryl ether / Amidine / Aromatic heteromonocyclic compound / Azacycle / Carboximidamide / Carboxylic acid amidine / Cumene / Ether / Hydrocarbon derivative
show 12 more
Molecular Framework
Aromatic heteromonocyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
97JJW1W1R3
CAS number
4846-91-7
InChI Key
GFYSWQDCHLWRMQ-UHFFFAOYSA-N
InChI
InChI=1S/C13H18N2O/c1-10(2)11-5-3-4-6-12(11)16-9-13-14-7-8-15-13/h3-6,10H,7-9H2,1-2H3,(H,14,15)
IUPAC Name
2-{[2-(propan-2-yl)phenoxy]methyl}-4,5-dihydro-1H-imidazole
SMILES
CC(C)C1=CC=CC=C1OCC1=NCCN1

References

General References
Not Available
ChemSpider
64911
RxNav
24856
ChEBI
134903
ChEMBL
CHEMBL14012
ZINC
ZINC000000001437
Wikipedia
Fenoxazoline

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
Not Available
Prices
Not Available
Patents
Not Available

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.316 mg/mLALOGPS
logP2.77ALOGPS
logP2.13Chemaxon
logS-2.8ALOGPS
pKa (Strongest Basic)9.26Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count3Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area33.62 Å2Chemaxon
Rotatable Bond Count4Chemaxon
Refractivity64.5 m3·mol-1Chemaxon
Polarizability25.01 Å3Chemaxon
Number of Rings2Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
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-MSsplash10-0kh0-6910000000-b0488af984fd2464a6a9
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-00kr-9260000000-e563fccc699e41ecad3b
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-00kr-0980000000-cbf31315b64a72cebcfe
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-000i-2900000000-bdb3714fc23b80b76c19
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-053i-9810000000-60fb2a534278abaa8253
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-014i-1900000000-6981af9fb63479094542
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-066r-9300000000-a3f6597b84f1aa16c1ab
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]-161.9338116
predicted
DarkChem Lite v0.1.0
[M-H]-143.94566
predicted
DeepCCS 1.0 (2019)
[M+H]+162.3528116
predicted
DarkChem Lite v0.1.0
[M+H]+146.30367
predicted
DeepCCS 1.0 (2019)
[M+Na]+162.0011116
predicted
DarkChem Lite v0.1.0
[M+Na]+153.98566
predicted
DeepCCS 1.0 (2019)

Drug created at June 23, 2017 20:47 / Updated at February 21, 2021 18:54