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Suxibuzone

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

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Identification

Generic Name
Suxibuzone
DrugBank Accession Number
DB13232
Background

Not Available

Type
Small Molecule
Groups
Experimental
Structure
3D
Similar Structures
Weight
Average: 438.473
Monoisotopic: 438.179086574
Chemical Formula
C24H26N2O6
Synonyms
  • suxibuzona
  • Suxibuzone
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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
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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.
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AbacavirSuxibuzone may decrease the excretion rate of Abacavir which could result in a higher serum level.
AbciximabThe risk or severity of bleeding and hemorrhage can be increased when Suxibuzone is combined with Abciximab.
AcebutololSuxibuzone may decrease the antihypertensive activities of Acebutolol.
AceclofenacThe risk or severity of adverse effects can be increased when Aceclofenac is combined with Suxibuzone.
AcemetacinThe risk or severity of adverse effects can be increased when Suxibuzone is combined with Acemetacin.
Food Interactions
Not Available

Products

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Active Moieties
NameKindUNIICASInChI Key
PhenylbutazoneprodrugGN5P7K3T8S50-33-9VYMDGNCVAMGZFE-UHFFFAOYSA-N

Categories

ATC Codes
M02AA22 — Suxibuzone
Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as fatty acid esters. These are carboxylic ester derivatives of a fatty acid.
Kingdom
Organic compounds
Super Class
Lipids and lipid-like molecules
Class
Fatty Acyls
Sub Class
Fatty acid esters
Direct Parent
Fatty acid esters
Alternative Parents
Pyrazolidinones / Dicarboxylic acids and derivatives / Benzene and substituted derivatives / Carboxylic acid hydrazides / Carboxylic acid esters / Carboxylic acids / Azacyclic compounds / Organopnictogen compounds / Organonitrogen compounds / Organic oxides
show 2 more
Substituents
Aromatic heteromonocyclic compound / Azacycle / Benzenoid / Carbonyl group / Carboxylic acid / Carboxylic acid derivative / Carboxylic acid ester / Carboxylic acid hydrazide / Dicarboxylic acid or derivatives / Fatty acid ester
show 11 more
Molecular Framework
Aromatic heteromonocyclic compounds
External Descriptors
monocarboxylic acid, pyrazolidines (CHEBI:32173)
Affected organisms
Not Available

Chemical Identifiers

UNII
86TDZ5WP2B
CAS number
27470-51-5
InChI Key
ONWXNHPOAGOMTG-UHFFFAOYSA-N
InChI
InChI=1S/C24H26N2O6/c1-2-3-16-24(17-32-21(29)15-14-20(27)28)22(30)25(18-10-6-4-7-11-18)26(23(24)31)19-12-8-5-9-13-19/h4-13H,2-3,14-17H2,1H3,(H,27,28)
IUPAC Name
4-[(4-butyl-3,5-dioxo-1,2-diphenylpyrazolidin-4-yl)methoxy]-4-oxobutanoic acid
SMILES
CCCCC1(COC(=O)CCC(O)=O)C(=O)N(N(C1=O)C1=CC=CC=C1)C1=CC=CC=C1

References

General References
Not Available
Human Metabolome Database
HMDB0042019
KEGG Drug
D01289
ChemSpider
5169
ChEBI
32173
ChEMBL
CHEMBL1414320
ZINC
ZINC000003875039
PharmGKB
PA166049191
Wikipedia
Suxibuzone

Clinical Trials

Clinical Trials
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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 Solubility0.033 mg/mLALOGPS
logP2.54ALOGPS
logP3.68Chemaxon
logS-4.1ALOGPS
pKa (Strongest Acidic)3.67Chemaxon
pKa (Strongest Basic)-7Chemaxon
Physiological Charge-1Chemaxon
Hydrogen Acceptor Count5Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area104.22 Å2Chemaxon
Rotatable Bond Count11Chemaxon
Refractivity115.08 m3·mol-1Chemaxon
Polarizability45.51 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 GC-MS Spectrum - GC-MSPredicted GC-MSsplash10-00di-9102000000-05271e9cb1c69a093216
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-00di-0006900000-83867aa3917aed3c35b9
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0a4i-0019000000-0366fd6d5ab5e5f79c7a
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0a4r-0019000000-f6bf3f18aee3dfb61ce7
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0pi0-0019100000-9467f519a3e417ec39be
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0ufr-0293000000-e2e801c0f833e4aa862a
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-057i-5498000000-0cf01b6249d90d99c837
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]-222.6469725
predicted
DarkChem Lite v0.1.0
[M-H]-206.2849133
predicted
DarkChem Lite v0.1.0
[M-H]-219.5536725
predicted
DarkChem Lite v0.1.0
[M-H]-202.97063
predicted
DeepCCS 1.0 (2019)
[M+H]+223.8942725
predicted
DarkChem Lite v0.1.0
[M+H]+208.1537962
predicted
DarkChem Lite v0.1.0
[M+H]+220.1246725
predicted
DarkChem Lite v0.1.0
[M+H]+205.36618
predicted
DeepCCS 1.0 (2019)
[M+Na]+222.5003725
predicted
DarkChem Lite v0.1.0
[M+Na]+218.9336
predicted
DarkChem Lite v0.1.0
[M+Na]+218.1706725
predicted
DarkChem Lite v0.1.0
[M+Na]+211.4086
predicted
DeepCCS 1.0 (2019)

Drug created at June 23, 2017 20:38 / Updated at February 21, 2021 18:54