NAV

Fluanisone

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

Identification

Generic Name
Fluanisone
DrugBank Accession Number
DB13665
Background

Not Available

Type
Small Molecule
Groups
Experimental
Structure
3D
Similar Structures
Weight
Average: 356.441
Monoisotopic: 356.190006216
Chemical Formula
C21H25FN2O2
Synonyms
  • Fluanisone
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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
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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.
DrugInteraction
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interactions in your software
1,2-BenzodiazepineThe risk or severity of CNS depression can be increased when 1,2-Benzodiazepine is combined with Fluanisone.
AcetazolamideThe risk or severity of CNS depression can be increased when Acetazolamide is combined with Fluanisone.
AcetophenazineThe risk or severity of CNS depression can be increased when Acetophenazine is combined with Fluanisone.
AgomelatineThe risk or severity of CNS depression can be increased when Agomelatine is combined with Fluanisone.
AlfentanilThe risk or severity of CNS depression can be increased when Alfentanil is combined with Fluanisone.
Food Interactions
Not Available

Categories

ATC Codes
N05AD09 — Fluanisone
Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group.
Kingdom
Organic compounds
Super Class
Organic oxygen compounds
Class
Organooxygen compounds
Sub Class
Carbonyl compounds
Direct Parent
Alkyl-phenylketones
Alternative Parents
Phenylpiperazines / N-arylpiperazines / Butyrophenones / Phenylbutylamines / Methoxyanilines / Aminophenyl ethers / Benzoyl derivatives / Dialkylarylamines / Aryl alkyl ketones / Phenoxy compounds
show 13 more
Substituents
1,4-diazinane / Alkyl aryl ether / Alkyl-phenylketone / Amine / Aminophenyl ether / Aniline or substituted anilines / Anisole / Aromatic heteromonocyclic compound / Aryl alkyl ketone / Aryl fluoride
show 31 more
Molecular Framework
Aromatic heteromonocyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
1D0W98U1I4
CAS number
1480-19-9
InChI Key
IRYFCWPNDIUQOW-UHFFFAOYSA-N
InChI
InChI=1S/C21H25FN2O2/c1-26-21-7-3-2-5-19(21)24-15-13-23(14-16-24)12-4-6-20(25)17-8-10-18(22)11-9-17/h2-3,5,7-11H,4,6,12-16H2,1H3
IUPAC Name
1-(4-fluorophenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]butan-1-one
SMILES
COC1=CC=CC=C1N1CCN(CCCC(=O)C2=CC=C(F)C=C2)CC1

References

General References
Not Available
ChemSpider
14410
BindingDB
50019959
ChEMBL
CHEMBL58792
ZINC
ZINC000004213325
Wikipedia
Fluanisone

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 Solubility0.091 mg/mLALOGPS
logP3.82ALOGPS
logP3.67Chemaxon
logS-3.6ALOGPS
pKa (Strongest Acidic)16.4Chemaxon
pKa (Strongest Basic)7.18Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count4Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area32.78 Å2Chemaxon
Rotatable Bond Count7Chemaxon
Refractivity102.57 m3·mol-1Chemaxon
Polarizability38.76 Å3Chemaxon
Number of Rings3Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleYesChemaxon
MDDR-like RuleYesChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
MS/MS Spectrum - , positiveLC-MS/MSsplash10-01b9-3911100000-7e103af3aff2bcfff723
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-0a4i-0209000000-6bb51e54e5d5ba8911a7
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0a4i-0009000000-6585086fc2ceca291182
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0a4r-0209000000-f77c54ecb3ab8afe6a8d
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0a6r-0039000000-e1a7495c435c5f90e632
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-06di-0923000000-93721a261bd343af2c3b
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0aov-3956000000-72b0d729341431eee4b8
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]-181.97789
predicted
DeepCCS 1.0 (2019)
[M+H]+184.33592
predicted
DeepCCS 1.0 (2019)
[M+Na]+191.4158
predicted
DeepCCS 1.0 (2019)

Drug created at June 23, 2017 20:46 / Updated at February 21, 2021 18:54