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
- Benzilone
- DrugBank Accession Number
- DB13369
- Background
Not Available
- Type
- Small Molecule
- Groups
- Experimental
- Structure
Structure for Benzilone (DB13369)
- Weight
- Average: 354.469
Monoisotopic: 354.206370186 - Chemical Formula
- C22H28NO3
- Synonyms
- Benzilonium
Pharmacology
- Indication
Not Available
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Prevent Adverse Drug Events TodayTap into our Clinical API for life-saving information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.Avoid life-threatening adverse drug events with our Clinical API- 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 softwareAclidinium The risk or severity of adverse effects can be increased when Benzilone is combined with Aclidinium. Adenosine The risk or severity of Tachycardia can be increased when Adenosine is combined with Benzilone. Albuterol The risk or severity of Tachycardia can be increased when Salbutamol is combined with Benzilone. Alfentanil The risk or severity of adverse effects can be increased when Benzilone is combined with Alfentanil. Alloin The therapeutic efficacy of Alloin can be decreased when used in combination with Benzilone. - Food Interactions
- Not Available
Categories
- ATC Codes
- A03AB01 — Benzilone
- Drug Categories
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.
- Kingdom
- Organic compounds
- Super Class
- Benzenoids
- Class
- Benzene and substituted derivatives
- Sub Class
- Diphenylmethanes
- Direct Parent
- Diphenylmethanes
- Alternative Parents
- N-alkylpyrrolidines / Tetraalkylammonium salts / Tertiary alcohols / Carboxylic acid esters / Monocarboxylic acids and derivatives / Azacyclic compounds / Organopnictogen compounds / Organic salts / Organic oxides / Hydrocarbon derivatives show 4 more
- Substituents
- Alcohol / Amine / Aromatic alcohol / Aromatic heteromonocyclic compound / Azacycle / Carbonyl group / Carboxylic acid derivative / Carboxylic acid ester / Diphenylmethane / Hydrocarbon derivative show 15 more
- Molecular Framework
- Aromatic heteromonocyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- GY56LQX77B
- CAS number
- 16175-92-1
- InChI Key
- ZKCWITXZGWUJAV-UHFFFAOYSA-N
- InChI
- InChI=1S/C22H28NO3/c1-3-23(4-2)16-15-20(17-23)26-21(24)22(25,18-11-7-5-8-12-18)19-13-9-6-10-14-19/h5-14,20,25H,3-4,15-17H2,1-2H3/q+1
- IUPAC Name
- 1,1-diethyl-3-[(2-hydroxy-2,2-diphenylacetyl)oxy]pyrrolidin-1-ium
- SMILES
- CC[N+]1(CC)CCC(C1)OC(=O)C(O)(C1=CC=CC=C1)C1=CC=CC=C1
References
- General References
- Not Available
- External Links
- ChemSpider
- 59632
- ChEBI
- 135496
- ChEMBL
- CHEMBL2110788
- Wikipedia
- Benzilone
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 0.000375 mg/mL ALOGPS logP 2.32 ALOGPS logP -0.78 Chemaxon logS -6 ALOGPS pKa (Strongest Acidic) 11.05 Chemaxon pKa (Strongest Basic) -4.5 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 2 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 46.53 Å2 Chemaxon Rotatable Bond Count 7 Chemaxon Refractivity 114.25 m3·mol-1 Chemaxon Polarizability 39.46 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No 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 GC-MS Spectrum - GC-MS Predicted GC-MS splash10-001i-2900000000-86500b9ce252a9f096f3 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]- 178.98096 predictedDeepCCS 1.0 (2019) [M+H]+ 181.33896 predictedDeepCCS 1.0 (2019) [M+Na]+ 187.56824 predictedDeepCCS 1.0 (2019)
Drug created at June 23, 2017 20:40 / Updated at June 12, 2020 16:53