NAV

Celivarone

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

Identification

Generic Name
Celivarone
DrugBank Accession Number
DB16012
Background

Celivarone is under investigation in clinical trial NCT00233441 (Placebo Controlled Double-blind Dose Ranging Study of the Efficacy and Safety of SSR149744C 50, 100, 200 or 300 Mg OD With Amiodarone as Calibrator for the Maintenance of Sinus Rhythm in Patients With Recent Atrial Fibrillation/flutter).

Type
Small Molecule
Groups
Investigational
Structure
Similar Structures
Weight
Average: 533.753
Monoisotopic: 533.350508997
Chemical Formula
C34H47NO4
Synonyms
  • Celivarone
  • Isopropyl 2-butyl-3-(4-(3-(dibutylamino)propyl)benzoyl)-1-benzofuran-5-carboxylate
External IDs
  • SSR 149744
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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

Products

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Product Ingredients
IngredientUNIICASInChI Key
Celivarone fumarateGA9K2RD7NJ752253-75-1OJGUHVXJDZPQSK-WLHGVMLRSA-N

Categories

Drug Categories
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
K45001587E
CAS number
401925-43-7
InChI Key
ZCENNVQCOZQSGH-UHFFFAOYSA-N
InChI
InChI=1S/C34H47NO4/c1-6-9-14-31-32(29-24-28(19-20-30(29)39-31)34(37)38-25(4)5)33(36)27-17-15-26(16-18-27)13-12-23-35(21-10-7-2)22-11-8-3/h15-20,24-25H,6-14,21-23H2,1-5H3
IUPAC Name
propan-2-yl 2-butyl-3-{4-[3-(dibutylamino)propyl]benzoyl}-1-benzofuran-5-carboxylate
SMILES
CCCCN(CCCC)CCCC1=CC=C(C=C1)C(=O)C1=C(CCCC)OC2=C1C=C(C=C2)C(=O)OC(C)C

References

General References
Not Available
ChemSpider
7982887
ChEMBL
CHEMBL3707403
ZINC
ZINC000003816429
Wikipedia
Celivarone

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2CompletedPreventionProphylaxis of perioperative arrhythmia / Ventricular Arrhythmia1
2CompletedTreatmentArrhythmia / Ventricular Fibrillation / Ventricular Tachycardia (VT)1
2CompletedTreatmentAtrial Fibrillation / Atrial Flutter1
2, 3CompletedTreatmentAtrial Fibrillation / Atrial Flutter1

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 Solubility0.00165 mg/mLALOGPS
logP7.74ALOGPS
logP9.3Chemaxon
logS-5.5ALOGPS
pKa (Strongest Basic)10.54Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count3Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area59.75 Å2Chemaxon
Rotatable Bond Count18Chemaxon
Refractivity161.19 m3·mol-1Chemaxon
Polarizability66.01 Å3Chemaxon
Number of Rings3Chemaxon
Bioavailability0Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleYesChemaxon
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/MSsplash10-05o0-0100690000-a453b304b255f20b4dd3
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-001l-0000960000-96587a05a1ae9540bd73
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-06e9-1000910000-0042a525c23eebaf2fbc
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-022d-0101900000-2aa52743b9f7b5a098e2
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-01q9-0000910000-4632d4db0816fcd90149
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-01ot-4906300000-310f1483d65e3308b889
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at December 10, 2020 23:27 / Updated at February 21, 2021 18:55