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Profadol

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

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Data Packages
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Identification

Generic Name
Profadol
DrugBank Accession Number
DB17993
Background

Not Available

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 219.328
Monoisotopic: 219.1623143
Chemical Formula
C14H21NO
Synonyms
  • A-2205 free base
  • Ci-572 free base
  • Dl-profadol
  • M-(1-methyl-3-propyl-3-pyrrolidinyl)phenol
  • Phenol, 3-(1-methyl-3-propyl-3-pyrrolidinyl)-
  • Phenol, m-(1-methyl-3-propyl-3-pyrrolidinyl)-
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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.
Not Available
Food Interactions
Not Available

Categories

Drug Categories
Not Available
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
41GDG43FTT
CAS number
428-37-5
InChI Key
VFUGCQKESINERB-UHFFFAOYSA-N
InChI
InChI=1S/C14H21NO/c1-3-7-14(8-9-15(2)11-14)12-5-4-6-13(16)10-12/h4-6,10,16H,3,7-9,11H2,1-2H3
IUPAC Name
3-(1-methyl-3-propylpyrrolidin-3-yl)phenol
SMILES
CCCC1(CCN(C)C1)C1=CC=CC(O)=C1

References

General References
Not Available
ChemSpider
9498
ChEMBL
CHEMBL161204
Wikipedia
Profadol

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
logP2.72Chemaxon
pKa (Strongest Acidic)10.07Chemaxon
pKa (Strongest Basic)8.96Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count2Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area23.47 Å2Chemaxon
Rotatable Bond Count3Chemaxon
Refractivity67.68 m3·mol-1Chemaxon
Polarizability25.92 Å3Chemaxon
Number of Rings2Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleYesChemaxon
MDDR-like RuleNoChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at July 26, 2023 19:13 / Updated at July 28, 2023 21:41