Fominoben
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Identification
- Generic Name
- Fominoben
- DrugBank Accession Number
- DB08968
- Background
Fominoben is an antitussive agent.
- Type
- Small Molecule
- Groups
- Experimental, Withdrawn
- Structure
- Weight
- Average: 401.887
Monoisotopic: 401.150619356 - Chemical Formula
- C21H24ClN3O3
- Synonyms
- Fominoben
- Fominobene
- Fominobenum
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
Products
- Drug product information from 10+ global regionsOur datasets provide approved product information including:dosage, form, labeller, route of administration, and marketing period.Access drug product information from over 10 global regions.
- Product Ingredients
Ingredient UNII CAS InChI Key Fominoben hydrochloride XCT2R4OS1G 24600-36-0 ZAOHKACVOFGZOI-UHFFFAOYSA-N - International/Other Brands
- Noleptan / Terion
Categories
- Drug Categories
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as benzanilides. These are aromatic compounds containing an anilide group in which the carboxamide group is substituted with a benzene ring. They have the general structure RNC(=O)R', where R,R'= benzene.
- Kingdom
- Organic compounds
- Super Class
- Benzenoids
- Class
- Benzene and substituted derivatives
- Sub Class
- Anilides
- Direct Parent
- Benzanilides
- Alternative Parents
- Alpha amino acids and derivatives / Benzamides / Phenylmethylamines / Benzoyl derivatives / Benzylamines / Aralkylamines / Chlorobenzenes / Aryl chlorides / Morpholines / Tertiary carboxylic acid amides show 10 more
- Substituents
- Alpha-amino acid or derivatives / Amine / Amino acid or derivatives / Aralkylamine / Aromatic heteromonocyclic compound / Aryl chloride / Aryl halide / Azacycle / Benzamide / Benzanilide show 28 more
- Molecular Framework
- Aromatic heteromonocyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- TJ2KK6NYJS
- CAS number
- 18053-31-1
- InChI Key
- KSNNEUZOAFRTDS-UHFFFAOYSA-N
- InChI
- InChI=1S/C21H24ClN3O3/c1-24(15-20(26)25-10-12-28-13-11-25)14-17-18(22)8-5-9-19(17)23-21(27)16-6-3-2-4-7-16/h2-9H,10-15H2,1H3,(H,23,27)
- IUPAC Name
- N-[3-chloro-2-({methyl[2-(morpholin-4-yl)-2-oxoethyl]amino}methyl)phenyl]benzamide
- SMILES
- CN(CC(=O)N1CCOCC1)CC1=C(Cl)C=CC=C1NC(=O)C1=CC=CC=C1
References
- Synthesis Reference
U.S. Patent 3,661,903.
- General References
- Not Available
- External Links
- PubChem Compound
- 3407
- PubChem Substance
- 310264931
- ChemSpider
- 3290
- 183875
- ChEBI
- 135639
- ChEMBL
- CHEMBL1697837
- ZINC
- ZINC000000607900
Clinical Trials
Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
- Not Available
- Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Solid
- Experimental Properties
Property Value Source melting point (°C) 206-208 U.S. Patent 3,661,903. - Predicted Properties
Property Value Source Water Solubility 0.0303 mg/mL ALOGPS logP 2.96 ALOGPS logP 2.51 Chemaxon logS -4.1 ALOGPS pKa (Strongest Acidic) 15.49 Chemaxon pKa (Strongest Basic) 5.55 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 61.88 Å2 Chemaxon Rotatable Bond Count 6 Chemaxon Refractivity 111.71 m3·mol-1 Chemaxon Polarizability 42.16 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 splash10-0udi-0203900000-58bda5c36ddb9627de58 Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-0k9t-0391200000-6942918084e494098259 Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-0uxv-1392300000-af14095d2e4aee993784 Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-001j-4190000000-132f630f4b22e435090b Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-0udi-3911000000-c4d9dc4f8bc4e49386b6 Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-053r-9385000000-671a0d19214d09348f30 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]- 187.03888 predictedDeepCCS 1.0 (2019) [M+H]+ 189.49475 predictedDeepCCS 1.0 (2019) [M+Na]+ 197.52057 predictedDeepCCS 1.0 (2019)
Drug created at June 09, 2014 15:49 / Updated at June 12, 2020 16:52