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

Identification

Name
Tertatolol
Accession Number
DB13775
Type
Small Molecule
Groups
Experimental
Description

Tertatolol is a beta blocker.

Structure
Thumb
Synonyms
Not Available
Product Ingredients
IngredientUNIICASInChI Key
Tertatolol hydrochloride9SDH60Z1NO33580-30-2LPBCJDNVLKNRAZ-UHFFFAOYSA-N
Categories
UNII
9ZO341YQXP
CAS number
83688-84-0
Weight
Average: 295.44
Monoisotopic: 295.160599739
Chemical Formula
C16H25NO2S
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

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
(4R)-limonene(4R)-limonene may decrease the antihypertensive activities of Tertatolol.
1,10-Phenanthroline1,10-Phenanthroline may increase the bradycardic activities of Tertatolol.
4-Methoxyamphetamine4-Methoxyamphetamine may increase the atrioventricular blocking (AV block) activities of Tertatolol.
AbediterolTertatolol may decrease the bronchodilatory activities of Abediterol.
AcebutololThe risk or severity of hyperkalemia can be increased when Tertatolol is combined with Acebutolol.
AceclofenacAceclofenac may decrease the antihypertensive activities of Tertatolol.
AcemetacinAcemetacin may decrease the antihypertensive activities of Tertatolol.
AcepromazineTertatolol may increase the orthostatic hypotensive activities of Acepromazine.
AceprometazineAceprometazine may increase the hypotensive activities of Tertatolol.
AcetohexamideTertatolol may increase the hypoglycemic activities of Acetohexamide.
Food Interactions
Not Available

References

General References
Not Available
External Links
Human Metabolome Database
HMDB0042026
ChemSpider
33875
BindingDB
50280934
ChEBI
135244
ChEMBL
CHEMBL434200
Wikipedia
Tertatolol
ATC Codes
C07AA16 — Tertatolol

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 Solubility0.0221 mg/mLALOGPS
logP2.92ALOGPS
logP2.88ChemAxon
logS-4.1ALOGPS
pKa (Strongest Acidic)14.09ChemAxon
pKa (Strongest Basic)9.76ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area41.49 Å2ChemAxon
Rotatable Bond Count6ChemAxon
Refractivity85.73 m3·mol-1ChemAxon
Polarizability34.15 Å3ChemAxon
Number of Rings2ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted ADMET features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted GC-MS Spectrum - GC-MSPredicted GC-MSNot Available
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

Taxonomy

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
Thiochromane / 1-benzothiopyran / Benzothiopyran / Aryl thioether / Alkyl aryl ether / Alkylarylthioether / Benzenoid / Thiopyran / 1,2-aminoalcohol / Secondary alcohol
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available

Enzymes

Kind
Protein
Organism
Human
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
  1. 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. [PubMed:27836712]
  2. Brodde OE, Kroemer HK: Drug-drug interactions of beta-adrenoceptor blockers. Arzneimittelforschung. 2003;53(12):814-22. [PubMed:14732961]
  3. 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 . [PubMed:17125412]

Drug created on June 23, 2017 14:48 / Updated on October 01, 2018 16:56