NAV

Oxyfedrine

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

Identification

Generic Name
Oxyfedrine
DrugBank Accession Number
DB13398
Background

Not Available

Type
Small Molecule
Groups
Experimental
Structure
3D
Similar Structures
Weight
Average: 313.397
Monoisotopic: 313.167793605
Chemical Formula
C19H23NO3
Synonyms
  • Oxyfedrine
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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.
DrugInteraction
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interactions in your software
AcebutololThe therapeutic efficacy of Oxyfedrine can be decreased when used in combination with Acebutolol.
AceclofenacThe risk or severity of hypertension can be increased when Aceclofenac is combined with Oxyfedrine.
AcemetacinThe risk or severity of hypertension can be increased when Oxyfedrine is combined with Acemetacin.
Acetylsalicylic acidThe risk or severity of hypertension can be increased when Acetylsalicylic acid is combined with Oxyfedrine.
AclidiniumThe risk or severity of Tachycardia can be increased when Aclidinium is combined with Oxyfedrine.
Food Interactions
Not Available

Categories

ATC Codes
C01DX03 — OxyfedrineC01DX53 — Oxyfedrine, combinations
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
Phenylpropanes / Phenoxy compounds / Methoxybenzenes / Anisoles / Benzoyl derivatives / Aryl alkyl ketones / Alkyl aryl ethers / Aralkylamines / Beta-amino ketones / Secondary alcohols
show 6 more
Substituents
1,2-aminoalcohol / Alcohol / Alkyl aryl ether / Alkyl-phenylketone / Amine / Anisole / Aralkylamine / Aromatic alcohol / Aromatic homomonocyclic compound / Aryl alkyl ketone
show 17 more
Molecular Framework
Aromatic homomonocyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
DWL616XF1K
CAS number
15687-41-9
InChI Key
GDYUVHBMFVMBAF-LIRRHRJNSA-N
InChI
InChI=1S/C19H23NO3/c1-14(19(22)15-7-4-3-5-8-15)20-12-11-18(21)16-9-6-10-17(13-16)23-2/h3-10,13-14,19-20,22H,11-12H2,1-2H3/t14-,19-/m0/s1
IUPAC Name
3-{[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]amino}-1-(3-methoxyphenyl)propan-1-one
SMILES
COC1=CC(=CC=C1)C(=O)CCN[C@@H](C)[C@H](O)C1=CC=CC=C1

References

General References
Not Available
ChemSpider
4590049
RxNav
7805
ChEBI
135343
ChEMBL
CHEMBL1651913
ZINC
ZINC000002018339
Wikipedia
Oxyfedrine

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount

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 Solubility0.0217 mg/mLALOGPS
logP2.39ALOGPS
logP2.63Chemaxon
logS-4.2ALOGPS
pKa (Strongest Acidic)13.88Chemaxon
pKa (Strongest Basic)9.06Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count4Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area58.56 Å2Chemaxon
Rotatable Bond Count8Chemaxon
Refractivity90.75 m3·mol-1Chemaxon
Polarizability34.91 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-MSsplash10-0a4i-2930000000-4fa7055e496a7aef2358
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-0002-0981000000-68ce45e154d554648cdf
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-06r2-0912000000-7cdd628b36420baf0640
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-00kb-0910000000-e45ed0d8c7e7c64078d6
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-03di-0970000000-b8d53decba87ed3547fe
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-06u6-4930000000-835dfd2d1fc7236f6743
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0929-0910000000-48b329b2a8e1a525d39f
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]-189.3524501
predicted
DarkChem Lite v0.1.0
[M-H]-178.1942
predicted
DeepCCS 1.0 (2019)
[M+H]+188.8990501
predicted
DarkChem Lite v0.1.0
[M+H]+180.55222
predicted
DeepCCS 1.0 (2019)
[M+Na]+189.1970501
predicted
DarkChem Lite v0.1.0
[M+Na]+187.87746
predicted
DeepCCS 1.0 (2019)

Drug created at June 23, 2017 20:41 / Updated at February 21, 2021 18:54