Fenoxazoline
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This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Explore a selection of our essential drug information below, or:
Identification
- Generic Name
- Fenoxazoline
- DrugBank Accession Number
- DB13736
- Background
Not Available
- Type
- Small Molecule
- Groups
- Experimental
- Structure
- Weight
- Average: 218.3
Monoisotopic: 218.141913208 - Chemical Formula
- C13H18N2O
- Synonyms
- Fenoxazoline
Pharmacology
- Indication
Not Available
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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
- Improve decision support & research outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!Improve decision support & research outcomes with our structured adverse effects data.
- 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.
Drug Interaction Integrate drug-drug
interactions in your softwareOxymetazoline The 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
- External Links
- ChemSpider
- 64911
- 24856
- ChEBI
- 134903
- ChEMBL
- CHEMBL14012
- ZINC
- ZINC000000001437
- Wikipedia
- Fenoxazoline
Clinical Trials
- Clinical Trials
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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
Property Value Source Water Solubility 0.316 mg/mL ALOGPS logP 2.77 ALOGPS logP 2.13 Chemaxon logS -2.8 ALOGPS pKa (Strongest Basic) 9.26 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 33.62 Å2 Chemaxon Rotatable Bond Count 4 Chemaxon Refractivity 64.5 m3·mol-1 Chemaxon Polarizability 25.01 Å3 Chemaxon Number of Rings 2 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule Yes Chemaxon MDDR-like Rule No Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted GC-MS Spectrum - GC-MS Predicted GC-MS splash10-0kh0-6910000000-b0488af984fd2464a6a9 Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-00kr-9260000000-e563fccc699e41ecad3b Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-00kr-0980000000-cbf31315b64a72cebcfe Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-000i-2900000000-bdb3714fc23b80b76c19 Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-053i-9810000000-60fb2a534278abaa8253 Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-014i-1900000000-6981af9fb63479094542 Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-066r-9300000000-a3f6597b84f1aa16c1ab Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 161.9338116 predictedDarkChem Lite v0.1.0 [M-H]- 143.94566 predictedDeepCCS 1.0 (2019) [M+H]+ 162.3528116 predictedDarkChem Lite v0.1.0 [M+H]+ 146.30367 predictedDeepCCS 1.0 (2019) [M+Na]+ 162.0011116 predictedDarkChem Lite v0.1.0 [M+Na]+ 153.98566 predictedDeepCCS 1.0 (2019)
Drug created at June 23, 2017 20:47 / Updated at February 21, 2021 18:54