Fominoben

Identification

Generic Name
Fominoben
DrugBank Accession Number
DB08968
Background

Fominoben is an antitussive agent.

Type
Small Molecule
Groups
Experimental, Withdrawn
Structure
Thumb
Weight
Average: 401.887
Monoisotopic: 401.150619356
Chemical Formula
C21H24ClN3O3
Synonyms
  • Fominoben
  • Fominobene
  • Fominobenum

Pharmacology

Indication

Not Available

Pharmacology
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Contraindications & Blackbox Warnings
Contraindications
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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
Medicalerrors
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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

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Product Ingredients
IngredientUNIICASInChI Key
Fominoben hydrochlorideXCT2R4OS1G24600-36-0ZAOHKACVOFGZOI-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
PubChem Compound
3407
PubChem Substance
310264931
ChemSpider
3290
RxNav
183875
ChEBI
135639
ChEMBL
CHEMBL1697837
ZINC
ZINC000000607900

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
Not Available
Prices
Not Available
Patents
Not Available

Properties

State
Solid
Experimental Properties
PropertyValueSource
melting point (°C)206-208U.S. Patent 3,661,903.
Predicted Properties
PropertyValueSource
Water Solubility0.0303 mg/mLALOGPS
logP2.96ALOGPS
logP2.51ChemAxon
logS-4.1ALOGPS
pKa (Strongest Acidic)15.49ChemAxon
pKa (Strongest Basic)5.55ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count4ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area61.88 Å2ChemAxon
Rotatable Bond Count6ChemAxon
Refractivity111.71 m3·mol-1ChemAxon
Polarizability42.16 Å3ChemAxon
Number of Rings3ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSNot Available

Drug created on June 09, 2014 15:49 / Updated on June 12, 2020 16:52