NAV

Buflomedil

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

Identification

Generic Name
Buflomedil
DrugBank Accession Number
DB13510
Background

Not Available

Type
Small Molecule
Groups
Experimental
Structure
3D
Similar Structures
Weight
Average: 307.39
Monoisotopic: 307.178358289
Chemical Formula
C17H25NO4
Synonyms
  • Buflomedil
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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 Browse all" title="About SNP Mediated Effects/ADRs" id="snp-actions-info" class="drug-info-popup" href="javascript:void(0);">
Not Available

Interactions

Drug Interactions Learn More" title="About Drug Interactions" id="structured-interactions-info" class="drug-info-popup" href="javascript:void(0);">
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.
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interactions in your software
AbciximabThe risk or severity of bleeding can be increased when Buflomedil is combined with Abciximab.
AbrocitinibThe risk or severity of bleeding and thrombocytopenia can be increased when Buflomedil is combined with Abrocitinib.
AcebutololBuflomedil may decrease the antihypertensive activities of Acebutolol.
AceclofenacThe risk or severity of bleeding can be increased when Aceclofenac is combined with Buflomedil.
AcemetacinThe risk or severity of bleeding can be increased when Acemetacin is combined with Buflomedil.
Food Interactions
Not Available

Products

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Categories

ATC Codes
C04AX20 — Buflomedil
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
Phenylbutylamines / Butyrophenones / Phenoxy compounds / Methoxybenzenes / Benzoyl derivatives / Aryl alkyl ketones / Anisoles / Alkyl aryl ethers / N-alkylpyrrolidines / Gamma-amino ketones
show 5 more
Substituents
Alkyl aryl ether / Alkyl-phenylketone / Amine / Anisole / Aromatic heteromonocyclic compound / Aryl alkyl ketone / Azacycle / Benzenoid / Benzoyl / Butyrophenone
show 17 more
Molecular Framework
Aromatic heteromonocyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
V7I71DQ432
CAS number
55837-25-7
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

References

General References
Not Available
ChemSpider
2373
BindingDB
50170664
RxNav
19836
ChEBI
94538
ChEMBL
CHEMBL188921
ZINC
ZINC000000005191
Wikipedia
Buflomedil

Clinical Trials

Clinical Trials Learn More" title="About Clinical Trials" id="clinical-trials-info" class="drug-info-popup" href="javascript:void(0);">
PhaseStatusPurposeConditionsCount

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
FormRouteStrength
Pill
Capsule
Injection, solution
SolutionOral
Solution / dropsOral
Tablet
Tablet, coated
Tablet, extended release
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-MSsplash10-001i-9220000000-da2966cf963f2e6ce043
LC-MS/MS Spectrum - LC-ESI-qTof , PositiveLC-MS/MSsplash10-0a4r-0968000000-38c95649df8b70bd9f8f
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
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-0a4i-0019000000-5f6d5eae7333a113d30a
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0a4i-0019000000-c1e878b8dd697d7f2a8a
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0abi-0291000000-3b429003be6d406b318c
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-014r-3191000000-b2d0645d37b59010518e
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-05fv-8941000000-049f1030c2e3a9560b5e
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-03fr-1950000000-4289e6ed6e9d9d4616c1
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]-195.6510473
predicted
DarkChem Lite v0.1.0
[M-H]-173.64964
predicted
DeepCCS 1.0 (2019)
[M+H]+196.7119473
predicted
DarkChem Lite v0.1.0
[M+H]+176.00766
predicted
DeepCCS 1.0 (2019)
[M+Na]+195.8176473
predicted
DarkChem Lite v0.1.0
[M+Na]+182.10092
predicted
DeepCCS 1.0 (2019)

Drug created at June 23, 2017 20:43 / Updated at February 21, 2021 18:54