p-Fluorofentanyl
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This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- p-Fluorofentanyl
- DrugBank Accession Number
- DB09177
- Background
p-Fluorofentanyl is an opioid analgesic being an analogue of fentanyl developed by Janssen Pharmaceutica in the 1960s. p-Fluorofentanyl was sold briefly on the US black market in the early 1980s, before the introduction of the Federal Analog Act which for the first time attempted to control entire families of drugs based on their structural similarity rather than scheduling each drug individually as they appeared. p-Fluorofentanyl is made with the same synthetic route as fentanyl, but by substituting para-fluoroaniline for aniline in the synthesis.
- Type
- Small Molecule
- Groups
- Illicit
- Structure
- Weight
- Average: 354.469
Monoisotopic: 354.21074166 - Chemical Formula
- C22H27FN2O
- Synonyms
- 4-Fluorofentanyl
- Parafluorofentanyl
- External IDs
- IDS-NF-003
- IDS-NF-003(SECT.3)
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.Not Available
- Food Interactions
- Not Available
Categories
- Drug Categories
- Not Available
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as fentanyls. These are compounds containing the fentanyl moiety or a derivative, which is based on a N-(1-(2-phenylethyl)-4-piperidinyl)-N-phenylpropanamide skeleton.
- Kingdom
- Organic compounds
- Super Class
- Organoheterocyclic compounds
- Class
- Piperidines
- Sub Class
- Fentanyls
- Direct Parent
- Fentanyls
- Alternative Parents
- Phenethylamines / Anilides / Fluorobenzenes / Aralkylamines / Aryl fluorides / Tertiary carboxylic acid amides / Trialkylamines / Amino acids and derivatives / Azacyclic compounds / Organopnictogen compounds show 4 more
- Substituents
- Amine / Amino acid or derivatives / Anilide / Aralkylamine / Aromatic heteromonocyclic compound / Aryl fluoride / Aryl halide / Azacycle / Benzenoid / Carbonyl group show 19 more
- Molecular Framework
- Aromatic heteromonocyclic compounds
- External Descriptors
- piperidines, organofluorine compound, monocarboxylic acid amide (CHEBI:61074)
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- I45R05QM0Z
- CAS number
- 90736-23-5
- InChI Key
- KXUBAVLIJFTASZ-UHFFFAOYSA-N
- InChI
- InChI=1S/C22H27FN2O/c1-2-22(26)25(20-10-8-19(23)9-11-20)21-13-16-24(17-14-21)15-12-18-6-4-3-5-7-18/h3-11,21H,2,12-17H2,1H3
- IUPAC Name
- N-(4-fluorophenyl)-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
- SMILES
- CCC(=O)N(C1CCN(CCC2=CC=CC=C2)CC1)C1=CC=C(F)C=C1
References
- General References
- Not Available
- External Links
- PubChem Compound
- 62300
- PubChem Substance
- 310265085
- ChemSpider
- 56096
- ChEBI
- 61074
- ChEMBL
- CHEMBL2355317
- ZINC
- ZINC000001850114
- Wikipedia
- Parafluorofentanyl
Clinical Trials
Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
- Not Available
- Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Solid
- Experimental Properties
- Not Available
- Predicted Properties
Property Value Source Water Solubility 0.0167 mg/mL ALOGPS logP 4.12 ALOGPS logP 3.96 Chemaxon logS -4.3 ALOGPS pKa (Strongest Basic) 8.74 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 2 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 23.55 Å2 Chemaxon Rotatable Bond Count 6 Chemaxon Refractivity 103.7 m3·mol-1 Chemaxon Polarizability 40.41 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule Yes Chemaxon MDDR-like Rule Yes Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-0002-0093000000-c0375bc06e2c58fe7d3f Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-0udi-0009000000-53ec31dca5cecec0bd75 Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-052b-0296000000-bf97c66d9c4977a17758 Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-0a4j-9283000000-eee611289e64dd36f920 Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-0a4i-2921000000-881e6585398d2a281e0c Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-0006-1950000000-95c8504c23ee53704afb 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]- 183.46687 predictedDeepCCS 1.0 (2019) [M+H]+ 185.82487 predictedDeepCCS 1.0 (2019) [M+Na]+ 193.19379 predictedDeepCCS 1.0 (2019)
Drug created at October 14, 2015 21:09 / Updated at June 12, 2020 16:52