NAV

(S)-Propafenone

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

Identification

Generic Name
(S)-Propafenone
DrugBank Accession Number
DB15410
Background

(S)-Propafenone is under investigation in clinical trial NCT02710669 (New Formulations of Propafenone to Treat Atrial Fibrillation).

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 341.451
Monoisotopic: 341.199093733
Chemical Formula
C21H27NO3
Synonyms
  • (-)-(S)-Propafenone
  • (-)-Propafenone
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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.
Not Available
Food Interactions
Not Available

Categories

Drug Categories
Not Available
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
N0BQN4E2YT
CAS number
107381-32-8
InChI Key
JWHAUXFOSRPERK-SFHVURJKSA-N
InChI
InChI=1S/C21H27NO3/c1-2-14-22-15-18(23)16-25-21-11-7-6-10-19(21)20(24)13-12-17-8-4-3-5-9-17/h3-11,18,22-23H,2,12-16H2,1H3/t18-/m0/s1
IUPAC Name
1-{2-[(2S)-2-hydroxy-3-(propylamino)propoxy]phenyl}-3-phenylpropan-1-one
SMILES
CCCNC[C@H](O)COC1=CC=CC=C1C(=O)CCC1=CC=CC=C1

References

General References
Not Available
ChemSpider
160687
ChEMBL
CHEMBL1322675
ZINC
ZINC000001530759

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1, 2TerminatedTreatmentAtrial Fibrillation1

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 Solubility0.00758 mg/mLALOGPS
logP3.1ALOGPS
logP3.54Chemaxon
logS-4.6ALOGPS
pKa (Strongest Acidic)14.09Chemaxon
pKa (Strongest Basic)9.72Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count4Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area58.56 Å2Chemaxon
Rotatable Bond Count11Chemaxon
Refractivity100.21 m3·mol-1Chemaxon
Polarizability39.58 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 MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-0006-5539000000-20db5c5995ca49f82c93
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0a4i-6933000000-79599a119d9568231030
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-00r5-9210000000-01b5bac484b05a59e483
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-052f-9620000000-22c95e6a720cc875c9c5
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-05mp-8910000000-2fce6142151d33b1b2f9
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0002-4930000000-344813966a3102b02870
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at May 20, 2019 15:26 / Updated at June 12, 2020 16:53