Brifentanil
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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
- Brifentanil
- DrugBank Accession Number
- DB09172
- Background
Brifentanil (also known as A-3331) is an analog of fentanyl, a potent opioid. This drug is classified as an opioid analgesic and was developed in the early 1990s. The effects of brifentanil are very similar to those of alfentanil, with strong but short lasting analgesia and sedation, and particularly notable itching and respiratory depression.
- Type
- Small Molecule
- Groups
- Illicit
- Structure
- Weight
- Average: 420.489
Monoisotopic: 420.228516981 - Chemical Formula
- C20H29FN6O3
- Synonyms
- Brifentanil
- External IDs
- A-3331
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 anilides. These are organic heterocyclic compounds derived from oxoacids RkE(=O)l(OH)m (l not 0) by replacing an OH group by the NHPh group or derivative formed by ring substitution.
- Kingdom
- Organic compounds
- Super Class
- Benzenoids
- Class
- Benzene and substituted derivatives
- Sub Class
- Anilides
- Direct Parent
- Anilides
- Alternative Parents
- Fluorobenzenes / Piperidines / Aryl fluorides / Tetrazoles / Tertiary carboxylic acid amides / Heteroaromatic compounds / Trialkylamines / Amino acids and derivatives / Dialkyl ethers / Azacyclic compounds show 5 more
- Substituents
- Amine / Amino acid or derivatives / Anilide / Aromatic heteromonocyclic compound / Aryl fluoride / Aryl halide / Azacycle / Azole / Carbonyl group / Carboxamide group show 21 more
- Molecular Framework
- Aromatic heteromonocyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 6GDT77PQBW
- CAS number
- 101345-71-5
- InChI Key
- KKMGCTVJCQYQPV-WBVHZDCISA-N
- InChI
- InChI=1S/C20H29FN6O3/c1-4-25-20(29)26(23-22-25)12-11-24-10-9-17(15(2)13-24)27(19(28)14-30-3)18-8-6-5-7-16(18)21/h5-8,15,17H,4,9-14H2,1-3H3/t15-,17+/m1/s1
- IUPAC Name
- N-[(3R,4S)-1-[2-(4-ethyl-5-oxo-4,5-dihydro-1H-1,2,3,4-tetrazol-1-yl)ethyl]-3-methylpiperidin-4-yl]-N-(2-fluorophenyl)-2-methoxyacetamide
- SMILES
- CCN1N=NN(CCN2CC[C@@H]([C@H](C)C2)N(C(=O)COC)C2=CC=CC=C2F)C1=O
References
- General References
- Not Available
- External Links
- PubChem Compound
- 60672
- PubChem Substance
- 310265081
- ChemSpider
- 54682
- ZINC
- ZINC000003804917
- Wikipedia
- Brifentanil
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 0.117 mg/mL ALOGPS logP 2.07 ALOGPS logP 2.68 Chemaxon logS -3.6 ALOGPS pKa (Strongest Acidic) 15.81 Chemaxon pKa (Strongest Basic) 7.54 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 6 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 81.05 Å2 Chemaxon Rotatable Bond Count 8 Chemaxon Refractivity 114.12 m3·mol-1 Chemaxon Polarizability 43.57 Å3 Chemaxon Number of Rings 3 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 splash10-00dr-0009600000-684fc6fb1a59c0464afb Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-000i-0009100000-cb9a0135b50edace8ea4 Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-00dr-0139200000-aaf0c70f2138e9329bb4 Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-00dr-1129000000-aa44a32d20a1c0f68d5c Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-03ka-0379000000-2523aabf3711b6dceb50 Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-00dr-1449000000-4f5445175d720d1720ab 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]- 190.67519 predictedDeepCCS 1.0 (2019) [M+H]+ 193.03319 predictedDeepCCS 1.0 (2019) [M+Na]+ 199.33305 predictedDeepCCS 1.0 (2019)
Drug created at October 14, 2015 20:51 / Updated at February 21, 2021 18:52