Buflomedil

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

Identification

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Name
Buflomedil
Accession Number
DB13510
Type
Small Molecule
Groups
Experimental
Description
Not Available
Structure
Thumb
Synonyms
Not Available
Categories
UNII
V7I71DQ432
CAS number
55837-25-7
Weight
Average: 307.39
Monoisotopic: 307.178358289
Chemical Formula
C17H25NO4
InChI Key
OWYLAEYXIQKAOL-UHFFFAOYSA-N
InChI
InChI=1S/C17H25NO4/c1-20-13-11-15(21-2)17(16(12-13)22-3)14(19)7-6-10-18-8-4-5-9-18/h11-12H,4-10H2,1-3H3
IUPAC Name
4-(pyrrolidin-1-yl)-1-(2,4,6-trimethoxyphenyl)butan-1-one
SMILES
COC1=CC(OC)=C(C(=O)CCCN2CCCC2)C(OC)=C1

Pharmacology

Indication
Not Available
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
Toxicity
Not Available
Affected organisms
Not Available
Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
DrugInteraction
(R)-warfarinThe risk or severity of bleeding can be increased when Buflomedil is combined with (R)-warfarin.
(S)-WarfarinThe risk or severity of bleeding can be increased when Buflomedil is combined with (S)-Warfarin.
1-(3-Mercapto-2-Methyl-Propionyl)-Pyrrolidine-2-Carboxylic AcidThe risk or severity of hypertension can be increased when 1-(3-Mercapto-2-Methyl-Propionyl)-Pyrrolidine-2-Carboxylic Acid is combined with Buflomedil.
1-benzylimidazoleThe risk or severity of hypertension can be increased when 1-benzylimidazole is combined with Buflomedil.
2,5-Dimethoxy-4-ethylamphetamineThe therapeutic efficacy of Buflomedil can be decreased when used in combination with 2,5-Dimethoxy-4-ethylamphetamine.
2,5-Dimethoxy-4-ethylthioamphetamineThe therapeutic efficacy of Buflomedil can be decreased when used in combination with 2,5-Dimethoxy-4-ethylthioamphetamine.
4-Bromo-2,5-dimethoxyamphetamineThe therapeutic efficacy of Buflomedil can be decreased when used in combination with 4-Bromo-2,5-dimethoxyamphetamine.
4-Bromo-2,5-dimethoxyphenethylamineThe therapeutic efficacy of 4-Bromo-2,5-dimethoxyphenethylamine can be decreased when used in combination with Buflomedil.
4-hydroxycoumarinThe risk or severity of bleeding can be increased when Buflomedil is combined with 4-hydroxycoumarin.
4-MethoxyamphetamineThe risk or severity of hypertension can be increased when 4-Methoxyamphetamine is combined with Buflomedil.
Additional Data Available
  • Extended Description
    Extended Description

    Extended description of the mechanism of action and particular properties of each drug interaction.

    Learn more
  • Severity
    Severity

    A severity rating for each drug interaction, from minor to major.

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  • Evidence Level
    Evidence Level

    A rating for the strength of the evidence supporting each drug interaction.

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  • Action
    Action

    An effect category for each drug interaction. Know how this interaction affects the subject drug.

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Food Interactions
Not Available

References

General References
Not Available
External Links
ChemSpider
2373
BindingDB
50170664
ChEBI
94538
ChEMBL
CHEMBL188921
Wikipedia
Buflomedil
ATC Codes
C04AX20 — Buflomedil

Clinical Trials

Clinical Trials
Not Available

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 Solubility0.486 mg/mLALOGPS
logP2.33ALOGPS
logP1.88ChemAxon
logS-2.8ALOGPS
pKa (Strongest Acidic)15.61ChemAxon
pKa (Strongest Basic)8.69ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area48 Å2ChemAxon
Rotatable Bond Count8ChemAxon
Refractivity86.27 m3·mol-1ChemAxon
Polarizability34.46 Å3ChemAxon
Number of Rings2ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted ADMET features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted GC-MS Spectrum - GC-MSPredicted GC-MSNot Available
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
LC-MS/MS Spectrum - LC-ESI-qTof , PositiveLC-MS/MSNot Available
LC-MS/MS Spectrum - LC-ESI-QFT , positiveLC-MS/MSsplash10-0a4i-0319000000-fae1bc18cd507096cb08
LC-MS/MS Spectrum - LC-ESI-QFT , positiveLC-MS/MSsplash10-000l-0690000000-ac374322a53c99e8e8de
LC-MS/MS Spectrum - LC-ESI-QFT , positiveLC-MS/MSsplash10-000i-1980000000-50abeeaba9271a98a868
LC-MS/MS Spectrum - LC-ESI-QFT , positiveLC-MS/MSsplash10-0002-1920000000-4722dd3c660c24d7d25f
LC-MS/MS Spectrum - LC-ESI-QFT , positiveLC-MS/MSsplash10-0002-1900000000-5bd85eba9d36e9d83f6c
LC-MS/MS Spectrum - LC-ESI-QFT , positiveLC-MS/MSsplash10-0002-2900000000-af385ddbea4e66223c32
MS/MS Spectrum - , positiveLC-MS/MSsplash10-0a4r-0968000000-38c95649df8b70bd9f8f

Taxonomy

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
Phenylbutylamines / Butyrophenones / Phenoxy compounds / Methoxybenzenes / Benzoyl derivatives / Aryl alkyl ketones / Anisoles / Alkyl aryl ethers / N-alkylpyrrolidines / Gamma-amino ketones
show 5 more
Substituents
Alkyl-phenylketone / Butyrophenone / Phenylbutylamine / Anisole / Benzoyl / Phenol ether / Phenoxy compound / Aryl alkyl ketone / Methoxybenzene / Alkyl aryl ether
show 17 more
Molecular Framework
Aromatic heteromonocyclic compounds
External Descriptors
Not Available

Drug created on June 23, 2017 14:43 / Updated on June 04, 2019 07:54