Adrenalone

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

Identification

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Name
Adrenalone
Accession Number
DB13394
Type
Small Molecule
Groups
Experimental
Description
Not Available
Structure
Thumb
Synonyms
  • 3',4'-dihydroxy-2-(methylamino)acetophenone
  • 4-Methylaminoacetocatechol
  • Adrenalona
  • Adrenone
External IDs
U 2134
Categories
UNII
EGU41QL329
CAS number
99-45-6
Weight
Average: 181.191
Monoisotopic: 181.073893218
Chemical Formula
C9H11NO3
InChI Key
PZMVOUYYNKPMSI-UHFFFAOYSA-N
InChI
InChI=1S/C9H11NO3/c1-10-5-9(13)6-2-3-7(11)8(12)4-6/h2-4,10-12H,5H2,1H3
IUPAC Name
1-(3,4-dihydroxyphenyl)-2-(methylamino)ethan-1-one
SMILES
CNCC(=O)C1=CC(O)=C(O)C=C1

Pharmacology

Indication
Not Available
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
Toxicity
Not Available
Affected organisms
Not Available
Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
DrugInteraction
3,5-diiodothyropropionic acidThe therapeutic efficacy of Adrenalone can be increased when used in combination with 3,5-diiodothyropropionic acid.
AbaloparatideThe therapeutic efficacy of Adrenalone can be increased when used in combination with Abaloparatide.
BenzylthiouracilThe therapeutic efficacy of Adrenalone can be increased when used in combination with Benzylthiouracil.
CarbimazoleThe therapeutic efficacy of Adrenalone can be increased when used in combination with Carbimazole.
DibromotyrosineThe therapeutic efficacy of Adrenalone can be increased when used in combination with Dibromotyrosine.
FollitropinThe therapeutic efficacy of Adrenalone can be increased when used in combination with Follitropin.
LevothyroxineThe therapeutic efficacy of Adrenalone can be increased when used in combination with Levothyroxine.
LidocaineThe risk or severity of hypertension can be increased when Adrenalone is combined with Lidocaine.
LiothyronineThe therapeutic efficacy of Adrenalone can be increased when used in combination with Liothyronine.
LiotrixThe therapeutic efficacy of Adrenalone can be increased when used in combination with Liotrix.
Additional Data Available
  • Extended Description
    Extended Description

    Extended description of the mechanism of action and particular properties of each drug interaction.

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  • Severity
    Severity

    A severity rating for each drug interaction, from minor to major.

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  • Evidence Level
    Evidence Level

    A rating for the strength of the evidence supporting each drug interaction.

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  • Action
    Action

    An effect category for each drug interaction. Know how this interaction affects the subject drug.

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Food Interactions
Not Available

References

General References
Not Available
External Links
ChemSpider
7158
BindingDB
94970
ChEBI
134821
ChEMBL
CHEMBL2103996
Wikipedia
Adrenalone
ATC Codes
A01AD06 — AdrenaloneB02BC05 — Adrenalone

Clinical Trials

Clinical Trials
Not Available

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 Solubility8.68 mg/mLALOGPS
logP-0.55ALOGPS
logP-0.18ChemAxon
logS-1.3ALOGPS
pKa (Strongest Acidic)7.5ChemAxon
pKa (Strongest Basic)8.24ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count4ChemAxon
Hydrogen Donor Count3ChemAxon
Polar Surface Area69.56 Å2ChemAxon
Rotatable Bond Count3ChemAxon
Refractivity48.56 m3·mol-1ChemAxon
Polarizability18.32 Å3ChemAxon
Number of Rings1ChemAxon
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/MSNot Available
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSNot Available

Taxonomy

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
Catechols / Benzoyl derivatives / Aryl alkyl ketones / 1-hydroxy-4-unsubstituted benzenoids / 1-hydroxy-2-unsubstituted benzenoids / Alpha-amino ketones / Dialkylamines / Organopnictogen compounds / Organic oxides / Hydrocarbon derivatives
Substituents
Alkyl-phenylketone / Benzoyl / Catechol / Aryl alkyl ketone / Phenol / 1-hydroxy-2-unsubstituted benzenoid / 1-hydroxy-4-unsubstituted benzenoid / Benzenoid / Monocyclic benzene moiety / Alpha-aminoketone
Molecular Framework
Aromatic homomonocyclic compounds
External Descriptors
Not Available

Drug created on June 23, 2017 14:41 / Updated on June 04, 2019 07:51