NAV

Octopamine

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

Identification

Generic Name
Octopamine
DrugBank Accession Number
DB13251
Background

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.

Type
Small Molecule
Groups
Experimental
Structure
3D
Similar Structures
Weight
Average: 153.1784
Monoisotopic: 153.078978601
Chemical Formula
C8H11NO2
Synonyms
  • Octopamine
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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 Octopamine can be decreased when used in combination with Acebutolol.
AceclofenacThe risk or severity of hypertension can be increased when Aceclofenac is combined with Octopamine.
AcemetacinThe risk or severity of hypertension can be increased when Octopamine is combined with Acemetacin.
Acetylsalicylic acidThe risk or severity of hypertension can be increased when Acetylsalicylic acid is combined with Octopamine.
AclidiniumThe risk or severity of Tachycardia can be increased when Aclidinium is combined with Octopamine.
Food Interactions
Not Available

Categories

ATC Codes
C01CA18 — Octopamine
Drug Categories
Chemical TaxonomyProvided by Classyfire
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
1,2-aminoalcohol / 1-hydroxy-2-unsubstituted benzenoid / Alcohol / Amine / Aralkylamine / Aromatic alcohol / Aromatic homomonocyclic compound / Hydrocarbon derivative / Monocyclic benzene moiety / Organic nitrogen compound
Molecular Framework
Aromatic homomonocyclic compounds
External Descriptors
phenylethanolamines, tyramines (CHEBI:17134)
Affected organisms
Not Available

Chemical Identifiers

UNII
14O50WS8JD
CAS number
104-14-3
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

References

General References
Not Available
ChemSpider
4420
BindingDB
32764
RxNav
1311141
ChEBI
17134
ChEMBL
CHEMBL53929
Wikipedia
Octopamine

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 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
MS/MS Spectrum - Linear Ion Trap , negativeLC-MS/MSsplash10-0ab9-0900000000-dccb27c46fb4c9b26e4e
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-014i-0900000000-b2a40fbb9f960dd9e47a
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0udl-2900000000-b3338b4c20e08fbe7b02
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-014i-0900000000-2bd13e440305563f43bf
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-05ox-7900000000-941182757e844a061ef7
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-066r-3900000000-48e9ffa41d253f6466f7
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-00kf-9700000000-e8738dacd70c67126714
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]-130.80913
predicted
DeepCCS 1.0 (2019)
[M+H]+134.61807
predicted
DeepCCS 1.0 (2019)
[M+Na]+144.03828
predicted
DeepCCS 1.0 (2019)

Drug created at June 23, 2017 20:38 / Updated at February 21, 2021 18:54