NAV

Gepefrine

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

Identification

Generic Name
Gepefrine
DrugBank Accession Number
DB13703
Background

Not Available

Type
Small Molecule
Groups
Experimental
Structure
3D
Similar Structures
Weight
Average: 151.209
Monoisotopic: 151.099714043
Chemical Formula
C9H13NO
Synonyms
  • Gepefrine
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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 Browse all" title="About SNP Mediated Effects/ADRs" id="snp-actions-info" class="drug-info-popup" href="javascript:void(0);">
Not Available

Interactions

Drug Interactions Learn More" title="About Drug Interactions" id="structured-interactions-info" class="drug-info-popup" href="javascript:void(0);">
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 Acebutolol can be decreased when used in combination with Gepefrine.
AceclofenacThe risk or severity of hypertension can be increased when Aceclofenac is combined with Gepefrine.
AcemetacinThe risk or severity of hypertension can be increased when Gepefrine is combined with Acemetacin.
AcetazolamideAcetazolamide may decrease the excretion rate of Gepefrine which could result in a higher serum level.
AcetophenazineAcetophenazine may decrease the stimulatory activities of Gepefrine.
Food Interactions
Not Available

Categories

ATC Codes
C01CA15 — Gepefrine
Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as amphetamines and derivatives. These are organic compounds containing or derived from 1-phenylpropan-2-amine.
Kingdom
Organic compounds
Super Class
Benzenoids
Class
Benzene and substituted derivatives
Sub Class
Phenethylamines
Direct Parent
Amphetamines and derivatives
Alternative Parents
Phenylpropanes / Aralkylamines / 1-hydroxy-4-unsubstituted benzenoids / 1-hydroxy-2-unsubstituted benzenoids / Organopnictogen compounds / Organooxygen compounds / Monoalkylamines / Hydrocarbon derivatives
Substituents
1-hydroxy-2-unsubstituted benzenoid / 1-hydroxy-4-unsubstituted benzenoid / Amine / Amphetamine or derivatives / Aralkylamine / Aromatic homomonocyclic compound / Hydrocarbon derivative / Organic nitrogen compound / Organic oxygen compound / Organonitrogen compound
Molecular Framework
Aromatic homomonocyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
V51RRX51VH
CAS number
18840-47-6
InChI Key
WTDGMHYYGNJEKQ-ZETCQYMHSA-N
InChI
InChI=1S/C9H13NO/c1-7(10)5-8-3-2-4-9(11)6-8/h2-4,6-7,11H,5,10H2,1H3/t7-/m0/s1
IUPAC Name
3-[(2S)-2-aminopropyl]phenol
SMILES
[H][C@@](C)(N)CC1=CC(O)=CC=C1

References

General References
Not Available
ChemSpider
189921
RxNav
41157
ChEMBL
CHEMBL3989731
ZINC
ZINC000000967941
Wikipedia
Gepefrine

Clinical Trials

Clinical Trials Learn More" title="About Clinical Trials" id="clinical-trials-info" class="drug-info-popup" href="javascript:void(0);">
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 Solubility3.44 mg/mLALOGPS
logP0.53ALOGPS
logP0.97Chemaxon
logS-1.6ALOGPS
pKa (Strongest Acidic)10.36Chemaxon
pKa (Strongest Basic)9.71Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count2Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area46.25 Å2Chemaxon
Rotatable Bond Count2Chemaxon
Refractivity45.69 m3·mol-1Chemaxon
Polarizability17 Å3Chemaxon
Number of Rings1Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterNoChemaxon
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-MSsplash10-0006-9800000000-a266cdd1989c15a22000
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0ue9-0900000000-9f4ffd8d42508c073c68
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-0a4r-2900000000-2e0447c6c637f0987a3c
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-05o3-2900000000-e0e84978bc1fa86acf38
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0a4l-6900000000-112be04230271954b1ca
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0006-9100000000-651fa1eb03c8a3bbdaa1
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-00or-9200000000-8f81fc6ab913157611f5
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]-136.0694887
predicted
DarkChem Lite v0.1.0
[M-H]-134.19984
predicted
DeepCCS 1.0 (2019)
[M+H]+137.3921887
predicted
DarkChem Lite v0.1.0
[M+H]+136.59541
predicted
DeepCCS 1.0 (2019)
[M+Na]+136.4097887
predicted
DarkChem Lite v0.1.0
[M+Na]+143.01587
predicted
DeepCCS 1.0 (2019)

Drug created at June 23, 2017 20:47 / Updated at February 21, 2021 18:54