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
Structure for Octopamine (DB13251)
- Weight
- Average: 153.1784
Monoisotopic: 153.078978601 - Chemical Formula
- C8H11NO2
- Synonyms
- Octopamine
Pharmacology
- Indication
Not Available
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Prevent Adverse Drug Events TodayTap into our Clinical API for life-saving information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.Avoid life-threatening adverse drug events with our Clinical API- 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
Improve decision support & research outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!Improve decision support & research outcomes with our structured adverse effects data.- 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.
Drug Interaction Integrate drug-drug
interactions in your softwareAcebutolol The therapeutic efficacy of Octopamine can be decreased when used in combination with Acebutolol. Aceclofenac The risk or severity of hypertension can be increased when Aceclofenac is combined with Octopamine. Acemetacin The risk or severity of hypertension can be increased when Octopamine is combined with Acemetacin. Acetylsalicylic acid The risk or severity of hypertension can be increased when Acetylsalicylic acid is combined with Octopamine. Aclidinium The 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
- Adrenergic Agents
- Adrenergic Agonists
- Adrenergic alpha-Agonists
- Adrenergic and Dopaminergic Agents
- Agents producing tachycardia
- Agents that produce hypertension
- Alcohols
- Amines
- Amino Alcohols
- Biogenic Amines
- Biogenic Monoamines
- Cardiac Stimulants Excl. Cardiac Glycosides
- Cardiac Therapy
- Cardiovascular Agents
- Ethanolamines
- Ethylamines
- Neurotransmitter Agents
- Phenethylamines
- Vasoconstrictor Agents
- 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
- External Links
- ChemSpider
- 4420
- BindingDB
- 32764
- 1311141
- ChEBI
- 17134
- ChEMBL
- CHEMBL53929
- Wikipedia
- Octopamine
Clinical Trials
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
Property Value Source Water Solubility 17.2 mg/mL ALOGPS logP -0.94 ALOGPS logP -0.32 Chemaxon logS -0.95 ALOGPS pKa (Strongest Acidic) 9.64 Chemaxon pKa (Strongest Basic) 8.98 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 66.48 Å2 Chemaxon Rotatable Bond Count 2 Chemaxon Refractivity 42.47 m3·mol-1 Chemaxon Polarizability 16.16 Å3 Chemaxon Number of Rings 1 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 130.80913 predictedDeepCCS 1.0 (2019) [M+H]+ 134.61807 predictedDeepCCS 1.0 (2019) [M+Na]+ 144.03828 predictedDeepCCS 1.0 (2019)
Drug created at June 23, 2017 20:38 / Updated at February 21, 2021 18:54