Tertatolol
This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Tertatolol
- DrugBank Accession Number
- DB13775
- Background
Tertatolol is a beta blocker.
- Type
- Small Molecule
- Groups
- Experimental
- Structure
Structure for Tertatolol (DB13775)
- Weight
- Average: 295.44
Monoisotopic: 295.160599739 - Chemical Formula
- C16H25NO2S
- Synonyms
- Tertatolol
Pharmacology
- Indication
Not Available
Accelerate your drug discovery research with the industry’s only fully connected ADMET dataset, ideal for:Accelerate your drug discovery research with our fully connected ADMET dataset- Contraindications & Blackbox Warnings
Contraindications & Blackbox WarningsWith our commercial data, access important information on dangerous risks, contraindications, and adverse effects.Our Blackbox Warnings cover Risks, Contraindications, and Adverse Effects- 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
Reduce medical errorsand improve treatment outcomes with our comprehensive & structured data on drug adverse effects.Reduce medical errors & improve treatment outcomes with our 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 softwareAbatacept The metabolism of Tertatolol can be increased when combined with Abatacept. Abiraterone The metabolism of Tertatolol can be decreased when combined with Abiraterone. Acarbose The therapeutic efficacy of Acarbose can be increased when used in combination with Tertatolol. Acebutolol Acebutolol may increase the arrhythmogenic activities of Tertatolol. Aceclofenac Aceclofenac may decrease the antihypertensive activities of Tertatolol. Acemetacin Acemetacin may decrease the antihypertensive activities of Tertatolol. Acetaminophen The metabolism of Tertatolol can be decreased when combined with Acetaminophen. Acetohexamide The therapeutic efficacy of Acetohexamide can be increased when used in combination with Tertatolol. Acetophenazine The serum concentration of Tertatolol can be increased when it is combined with Acetophenazine. Acetylcholine The risk or severity of adverse effects can be increased when Tertatolol is combined with Acetylcholine. 
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- Not Available
Products
Comprehensive & structured drug product infoFrom application numbers to product codes, connect different identifiers through our commercial datasets.Easily connect various identifiers back to our datasets- Product Ingredients
Ingredient UNII CAS InChI Key Tertatolol hydrochloride 9SDH60Z1NO 33580-30-2 LPBCJDNVLKNRAZ-UHFFFAOYSA-N
Categories
- ATC Codes
- C07AA16 — Tertatolol
- Drug Categories
- Adrenergic Agents
- Adrenergic Antagonists
- Adrenergic beta-Antagonists
- Agents causing hyperkalemia
- Alcohols
- Amines
- Amino Alcohols
- Antiarrhythmic agents
- Beta Blocking Agents, Non-Selective
- Bradycardia-Causing Agents
- Cardiovascular Agents
- Cytochrome P-450 CYP2D6 Substrates
- Cytochrome P-450 Substrates
- Neurotransmitter Agents
- Propanols
- Sulfur Compounds
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as thiochromanes. These are organic heterocyclic compounds containing a thiochromane moiety.
- Kingdom
- Organic compounds
- Super Class
- Organoheterocyclic compounds
- Class
- Thiochromanes
- Sub Class
- Not Available
- Direct Parent
- Thiochromanes
- Alternative Parents
- 1-benzothiopyrans / Alkylarylthioethers / Alkyl aryl ethers / Thiopyrans / Benzenoids / Secondary alcohols / 1,2-aminoalcohols / Dialkylamines / Organopnictogen compounds / Hydrocarbon derivatives
- Substituents
- 1,2-aminoalcohol / 1-benzothiopyran / Alcohol / Alkyl aryl ether / Alkylarylthioether / Amine / Aromatic heteropolycyclic compound / Aryl thioether / Benzenoid / Benzothiopyran
- Molecular Framework
- Aromatic heteropolycyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 9ZO341YQXP
- CAS number
- 83688-84-0
- InChI Key
- HTWFXPCUFWKXOP-UHFFFAOYSA-N
- InChI
- InChI=1S/C16H25NO2S/c1-16(2,3)17-10-13(18)11-19-14-8-4-6-12-7-5-9-20-15(12)14/h4,6,8,13,17-18H,5,7,9-11H2,1-3H3
- IUPAC Name
- 1-(tert-butylamino)-3-(3,4-dihydro-2H-1-benzothiopyran-8-yloxy)propan-2-ol
- SMILES
- CC(C)(C)NCC(O)COC1=CC=CC2=C1SCCC2
References
- General References
- Not Available
- External Links
- Human Metabolome Database
- HMDB0042026
- ChemSpider
- 33875
- BindingDB
- 50280934
- 37840
- ChEBI
- 135244
- ChEMBL
- CHEMBL434200
- Wikipedia
- Tertatolol
Clinical Trials
Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
Form Route Strength Tablet - Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Not Available
- Experimental Properties
- Not Available
- Predicted Properties
Property Value Source Water Solubility 0.0221 mg/mL ALOGPS logP 2.92 ALOGPS logP 2.88 ChemAxon logS -4.1 ALOGPS pKa (Strongest Acidic) 14.09 ChemAxon pKa (Strongest Basic) 9.76 ChemAxon Physiological Charge 1 ChemAxon Hydrogen Acceptor Count 3 ChemAxon Hydrogen Donor Count 2 ChemAxon Polar Surface Area 41.49 Å2 ChemAxon Rotatable Bond Count 6 ChemAxon Refractivity 85.73 m3·mol-1 ChemAxon Polarizability 34.15 Å3 ChemAxon Number of Rings 2 ChemAxon Bioavailability 1 ChemAxon Rule of Five Yes ChemAxon Ghose Filter Yes ChemAxon Veber's Rule No ChemAxon MDDR-like Rule No ChemAxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted GC-MS Spectrum - GC-MS Predicted GC-MS Not Available 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
Enzymes
- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- No
- Actions
- Substrate
- General Function
- Steroid hydroxylase activity
- Specific Function
- Responsible for the metabolism of many drugs and environmental chemicals that it oxidizes. It is involved in the metabolism of drugs such as antiarrhythmics, adrenoceptor antagonists, and tricyclic...
- Gene Name
- CYP2D6
- Uniprot ID
- P10635
- Uniprot Name
- Cytochrome P450 2D6
- Molecular Weight
- 55768.94 Da
References
- Iwaki M, Niwa T, Bandoh S, Itoh M, Hirose H, Kawase A, Komura H: Application of substrate depletion assay to evaluation of CYP isoforms responsible for stereoselective metabolism of carvedilol. Drug Metab Pharmacokinet. 2016 Dec;31(6):425-432. doi: 10.1016/j.dmpk.2016.08.007. Epub 2016 Sep 2. [Article]
- Brodde OE, Kroemer HK: Drug-drug interactions of beta-adrenoceptor blockers. Arzneimittelforschung. 2003;53(12):814-22. [Article]
- Sternieri E, Coccia CP, Pinetti D, Guerzoni S, Ferrari A: Pharmacokinetics and interactions of headache medications, part II: prophylactic treatments. Expert Opin Drug Metab Toxicol. 2006 Dec;2(6):981-1007. doi: 10.1517/17425255.2.6.981 . [Article]
Drug created on June 23, 2017 20:48 / Updated on February 21, 2021 18:54