NAV

Mebenil

This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

Identification

Generic Name
Mebenil
DrugBank Accession Number
DB14728
Background

An obsolete fungicide used to control various pathogens on cereals and seed potatoes.

Type
Small Molecule
Groups
Experimental
Structure
3D
Similar Structures
Weight
Average: 211.264
Monoisotopic: 211.099714043
Chemical Formula
C14H13NO
Synonyms
  • 2-Methyl-N-phenylbenzamide
  • 2-Methylbenzanilide
  • 2-Methylbenzoanilide
  • 2-Methylbenzoic acid anilide
  • o-Methylbenzanilide
  • o-Toluanilide
External IDs
  • BAS 305
  • BAS 3050F
  • BAS-3050
  • BAS-3050F
  • F 368
  • F-368
  • SHA-458100
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Pharmacology

Indication

Not Available

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Contraindications & Blackbox Warnings
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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
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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

Categories

Drug Categories
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
B8MA40FMWG
CAS number
7055-03-0
InChI Key
MZNCVTCEYXDDIS-UHFFFAOYSA-N
InChI
InChI=1S/C14H13NO/c1-11-7-5-6-10-13(11)14(16)15-12-8-3-2-4-9-12/h2-10H,1H3,(H,15,16)
IUPAC Name
2-methyl-N-phenylbenzamide
SMILES
CC1=C(C=CC=C1)C(=O)NC1=CC=CC=C1

References

General References
Not Available
KEGG Compound
C18913
ChemSpider
21940
ChEBI
82056
ChEMBL
CHEMBL1328781
ZINC
ZINC000000396264

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount

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
PropertyValueSource
Water Solubility0.04 mg/mLALOGPS
logP2.67ALOGPS
logP3.58Chemaxon
logS-3.7ALOGPS
pKa (Strongest Acidic)15.98Chemaxon
pKa (Strongest Basic)-3.6Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count1Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area29.1 Å2Chemaxon
Rotatable Bond Count2Chemaxon
Refractivity66.63 m3·mol-1Chemaxon
Polarizability22.81 Å3Chemaxon
Number of Rings2Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleYesChemaxon
MDDR-like RuleNoChemaxon
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/MSsplash10-03xr-0690000000-43256cb1d0bedb87039b
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-01ox-9050000000-1b108fca74d76c0cf7f7
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0296-9630000000-efd6df238835d2edb960
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-000x-8920000000-5c53534efbb518a6f1ef
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-014i-8900000000-a1fd85ee5268095564f1
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-00mo-9000000000-85ae5ee749a38c147444
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-153.9357213
predicted
DarkChem Lite v0.1.0
[M+H]+155.0192213
predicted
DarkChem Lite v0.1.0
[M+Na]+154.3273213
predicted
DarkChem Lite v0.1.0

Drug created at December 15, 2018 23:41 / Updated at May 22, 2021 06:02