Octopamine

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
Octopamine
Accession Number
DB13251
Type
Small Molecule
Groups
Experimental
Description

Octopamine is structurally similar to norepinephrine. It has been used as a nootropic, and therefore it and all of its enantiomer are prohibited by the World Anti-doping Agency (WADA) as of 2014.

Structure
Thumb
Synonyms
Not Available
Categories
UNII
14O50WS8JD
CAS number
104-14-3
Weight
Average: 153.1784
Monoisotopic: 153.078978601
Chemical Formula
C8H11NO2
InChI Key
QHGUCRYDKWKLMG-UHFFFAOYSA-N
InChI
InChI=1S/C8H11NO2/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4,8,10-11H,5,9H2
IUPAC Name
4-(2-amino-1-hydroxyethyl)phenol
SMILES
NCC(O)C1=CC=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
1-(3-Mercapto-2-Methyl-Propionyl)-Pyrrolidine-2-Carboxylic AcidThe risk or severity of hypertension can be increased when 1-(3-Mercapto-2-Methyl-Propionyl)-Pyrrolidine-2-Carboxylic Acid is combined with Octopamine.
1-benzylimidazoleThe risk or severity of hypertension can be increased when 1-benzylimidazole is combined with Octopamine.
2,5-Dimethoxy-4-ethylamphetamineThe risk or severity of hypertension can be increased when 2,5-Dimethoxy-4-ethylamphetamine is combined with Octopamine.
2,5-Dimethoxy-4-ethylthioamphetamineThe risk or severity of hypertension can be increased when Octopamine is combined with 2,5-Dimethoxy-4-ethylthioamphetamine.
3,5-diiodothyropropionic acidThe therapeutic efficacy of Octopamine can be increased when used in combination with 3,5-diiodothyropropionic acid.
4-Bromo-2,5-dimethoxyamphetamineThe risk or severity of hypertension can be increased when 4-Bromo-2,5-dimethoxyamphetamine is combined with Octopamine.
4-MethoxyamphetamineThe risk or severity of hypertension can be increased when 4-Methoxyamphetamine is combined with Octopamine.
5-methoxy-N,N-dimethyltryptamineThe risk or severity of hypertension can be increased when Octopamine is combined with 5-methoxy-N,N-dimethyltryptamine.
AbaloparatideThe therapeutic efficacy of Octopamine can be increased when used in combination with Abaloparatide.
AbediterolThe risk or severity of hypertension can be increased when Abediterol is combined with Octopamine.
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
4420
BindingDB
32764
ChEBI
17134
ChEMBL
CHEMBL53929
Wikipedia
Octopamine
ATC Codes
C01CA18 — Octopamine

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 Solubility17.2 mg/mLALOGPS
logP-0.94ALOGPS
logP-0.32ChemAxon
logS-0.95ALOGPS
pKa (Strongest Acidic)9.64ChemAxon
pKa (Strongest Basic)8.98ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count3ChemAxon
Polar Surface Area66.48 Å2ChemAxon
Rotatable Bond Count2ChemAxon
Refractivity42.47 m3·mol-1ChemAxon
Polarizability16.16 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
GC-MS Spectrum - GC-MS (3 TMS)GC-MSsplash10-0udi-1930000000-aeaf6668117443b652df
GC-MS Spectrum - GC-MS (4 TMS)GC-MSsplash10-00di-2920000000-eac0ee43846f06375f09
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
MS/MS Spectrum - Linear Ion Trap , negativeLC-MS/MSsplash10-0ab9-0900000000-dccb27c46fb4c9b26e4e

Taxonomy

Description
This compound belongs to the class of organic compounds known as 1-hydroxy-2-unsubstituted benzenoids. These are phenols that a unsubstituted at the 2-position.
Kingdom
Organic compounds
Super Class
Benzenoids
Class
Phenols
Sub Class
1-hydroxy-2-unsubstituted benzenoids
Direct Parent
1-hydroxy-2-unsubstituted benzenoids
Alternative Parents
Aralkylamines / Benzene and substituted derivatives / Secondary alcohols / 1,2-aminoalcohols / Organopnictogen compounds / Monoalkylamines / Hydrocarbon derivatives / Aromatic alcohols
Substituents
1-hydroxy-2-unsubstituted benzenoid / Aralkylamine / Monocyclic benzene moiety / 1,2-aminoalcohol / Secondary alcohol / Organic nitrogen compound / Hydrocarbon derivative / Aromatic alcohol / Organopnictogen compound / Primary amine
Molecular Framework
Aromatic homomonocyclic compounds
External Descriptors
phenylethanolamines, tyramines (CHEBI:17134)

Drug created on June 23, 2017 14:38 / Updated on June 04, 2019 07:49