Mirfentanil
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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
- Mirfentanil
- DrugBank Accession Number
- DB09175
- Background
Mirfentanil is a derivative of fentanyl that presents high selectivity for the mu opioid receptor. At lower doses, it antagonizes the analgesic effects of alfentanil and substitutes for naloxone in morphine-treated monkeys; however, it also reverses naloxone-precipitated withdrawal in pigeons trained to discriminate morphine from naloxone. At high doses, it exhibits analgesic activity which is not fully reversed by opioid antagonists, suggesting that the drug has both opioid and non-opioid mechanisms of action.
- Type
- Small Molecule
- Groups
- Experimental
- Structure
- Weight
- Average: 376.46
Monoisotopic: 376.189926029 - Chemical Formula
- C22H24N4O2
- Synonyms
- Mirfentanil
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
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as phenethylamines. These are compounds containing a phenethylamine moiety, which consists of a phenyl group substituted at the second position by an ethan-1-amine.
- Kingdom
- Organic compounds
- Super Class
- Benzenoids
- Class
- Benzene and substituted derivatives
- Sub Class
- Phenethylamines
- Direct Parent
- Phenethylamines
- Alternative Parents
- 2-heteroaryl carboxamides / Furoic acid and derivatives / Aralkylamines / Pyrazines / Imidolactams / Piperidines / Heteroaromatic compounds / Tertiary carboxylic acid amides / Amino acids and derivatives / Trialkylamines show 6 more
- Substituents
- 2-heteroaryl carboxamide / Amine / Amino acid or derivatives / Aralkylamine / Aromatic heteromonocyclic compound / Azacycle / Carboxamide group / Carboxylic acid derivative / Furan / Furoic acid or derivatives show 17 more
- Molecular Framework
- Aromatic heteromonocyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- Q2U943H24P
- CAS number
- 117523-47-4
- InChI Key
- BJZZDOLVVLWFHN-UHFFFAOYSA-N
- InChI
- InChI=1S/C22H24N4O2/c27-22(20-7-4-16-28-20)26(21-17-23-11-12-24-21)19-9-14-25(15-10-19)13-8-18-5-2-1-3-6-18/h1-7,11-12,16-17,19H,8-10,13-15H2
- IUPAC Name
- N-[1-(2-phenylethyl)piperidin-4-yl]-N-(pyrazin-2-yl)furan-2-carboxamide
- SMILES
- O=C(N(C1CCN(CCC2=CC=CC=C2)CC1)C1=NC=CN=C1)C1=CC=CO1
References
- General References
- Not Available
- External Links
- PubChem Compound
- 60698
- PubChem Substance
- 310265084
- ChemSpider
- 54703
- BindingDB
- 50017404
- ChEMBL
- CHEMBL161084
- Wikipedia
- Mirfentanil
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 0.105 mg/mL ALOGPS logP 2.49 ALOGPS logP 2.19 Chemaxon logS -3.6 ALOGPS pKa (Strongest Basic) 8.41 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 62.47 Å2 Chemaxon Rotatable Bond Count 6 Chemaxon Refractivity 107.92 m3·mol-1 Chemaxon Polarizability 40.36 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No 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 splash10-004i-0009000000-707a3a607c03db14676c Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-057i-0039000000-dc7ddd944db8c8031df0 Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-0059-0149000000-4660caa47fe02373870d Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-0fh9-1194000000-c9359f4242e44ded7b8f Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-0563-3922000000-281334fcf734db25bfa8 Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-00b9-2982000000-b7fd1f2ebac8680efcee 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]- 203.9843343 predictedDarkChem Lite v0.1.0 [M-H]- 182.21606 predictedDeepCCS 1.0 (2019) [M+H]+ 203.3192343 predictedDarkChem Lite v0.1.0 [M+H]+ 184.57407 predictedDeepCCS 1.0 (2019) [M+Na]+ 202.8608343 predictedDarkChem Lite v0.1.0 [M+Na]+ 191.72531 predictedDeepCCS 1.0 (2019)
Drug created at October 14, 2015 21:02 / Updated at February 21, 2021 18:52