This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Theodrenaline
- DrugBank Accession Number
- DB12927
- Background
Theodrenaline is under investigation in clinical trial NCT01311414 (Effect of Cafedrine/Theodrenaline and Urapidil on Cerebral Oxygenation).
- Type
- Small Molecule
- Groups
- Investigational
- Structure
Structure for Theodrenaline (DB12927)
- Weight
- Average: 375.385
Monoisotopic: 375.154268796 - Chemical Formula
- C17H21N5O5
- Synonyms
- Theodrenaline
Pharmacology
- Indication
Not Available
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Avoid life-threatening adverse drug eventsImprove clinical decision support with information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.Avoid life-threatening adverse drug events & improve clinical decision support.- 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.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 software1,2-Benzodiazepine The therapeutic efficacy of 1,2-Benzodiazepine can be decreased when used in combination with Theodrenaline. Abametapir The serum concentration of Theodrenaline can be increased when it is combined with Abametapir. Abatacept The metabolism of Theodrenaline can be increased when combined with Abatacept. Abiraterone The serum concentration of Theodrenaline can be increased when it is combined with Abiraterone. Acebutolol The therapeutic efficacy of Acebutolol can be increased when used in combination with Theodrenaline. Aceclofenac The risk or severity of hypertension can be increased when Aceclofenac is combined with Theodrenaline. Acemetacin The risk or severity of hypertension can be increased when Theodrenaline is combined with Acemetacin. Acenocoumarol The metabolism of Theodrenaline can be decreased when combined with Acenocoumarol. Acetaminophen The metabolism of Theodrenaline can be decreased when combined with Acetaminophen. Acetazolamide Acetazolamide may increase the excretion rate of Theodrenaline which could result in a lower serum level and potentially a reduction in efficacy. 
Identify potential medication risksEasily compare up to 40 drugs with our drug interaction checker.Get severity rating, description, and management advice.Learn more - Food Interactions
- Not Available
Categories
- ATC Codes
- C01CA23 — Theodrenaline
- Drug Categories
- Adrenergic and Dopaminergic Agents
- Agents that produce hypertension
- Alcohols
- Alkaloids
- Amines
- Amino Alcohols
- Benzene Derivatives
- Biogenic Amines
- Biogenic Monoamines
- Cardiac Stimulants Excl. Cardiac Glycosides
- Cardiac Therapy
- Cardiovascular Agents
- Catecholamines
- Catechols
- Cytochrome P-450 CYP1A2 Substrates
- Cytochrome P-450 Substrates
- Epinephrine and similars
- Ethanolamines
- Heterocyclic Compounds, Fused-Ring
- Phenols
- Purines
- Purinones
- Xanthine derivatives
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as xanthines. These are purine derivatives with a ketone group conjugated at carbons 2 and 6 of the purine moiety.
- Kingdom
- Organic compounds
- Super Class
- Organoheterocyclic compounds
- Class
- Imidazopyrimidines
- Sub Class
- Purines and purine derivatives
- Direct Parent
- Xanthines
- Alternative Parents
- 6-oxopurines / Alkaloids and derivatives / Catechols / Pyrimidones / 1-hydroxy-2-unsubstituted benzenoids / 1-hydroxy-4-unsubstituted benzenoids / Aralkylamines / N-substituted imidazoles / Benzene and substituted derivatives / Vinylogous amides show 11 more
- Substituents
- 1,2-aminoalcohol / 1-hydroxy-2-unsubstituted benzenoid / 1-hydroxy-4-unsubstituted benzenoid / 6-oxopurine / Alcohol / Alkaloid or derivatives / Amine / Aralkylamine / Aromatic alcohol / Aromatic heteropolycyclic compound show 26 more
- Molecular Framework
- Aromatic heteropolycyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- RW8PD99T8G
- CAS number
- 13460-98-5
- InChI Key
- WMCMJIGLYZDKRN-UHFFFAOYSA-N
- InChI
- InChI=1S/C17H21N5O5/c1-20-15-14(16(26)21(2)17(20)27)22(9-19-15)6-5-18-8-13(25)10-3-4-11(23)12(24)7-10/h3-4,7,9,13,18,23-25H,5-6,8H2,1-2H3
- IUPAC Name
- 7-(2-{[2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]amino}ethyl)-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
- SMILES
- CN1C2=C(N(CCNCC(O)C3=CC(O)=C(O)C=C3)C=N2)C(=O)N(C)C1=O
References
- General References
- Not Available
- External Links
- PubChem Compound
- 71857
- PubChem Substance
- 347829072
- ChemSpider
- 64874
- 31958
- ChEBI
- 135580
- ChEMBL
- CHEMBL2107608
- Wikipedia
- Theodrenaline
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count Not Available Completed Not Available Hypotension 1 Not Available Withdrawn Treatment Cerebral Ischemia 1
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 3.71 mg/mL ALOGPS logP -0.2 ALOGPS logP -0.83 Chemaxon logS -2 ALOGPS pKa (Strongest Acidic) 9.36 Chemaxon pKa (Strongest Basic) 8.66 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 7 Chemaxon Hydrogen Donor Count 4 Chemaxon Polar Surface Area 131.16 Å2 Chemaxon Rotatable Bond Count 6 Chemaxon Refractivity 97.09 m3·mol-1 Chemaxon Polarizability 37.7 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS Not Available
Drug created at October 21, 2016 01:21 / Updated at February 21, 2021 18:54