NAV

Tritoqualine

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

Identification

Generic Name
Tritoqualine
DrugBank Accession Number
DB13711
Background

Not Available

Type
Small Molecule
Groups
Approved
Structure
3D
Similar Structures
Weight
Average: 500.548
Monoisotopic: 500.215865998
Chemical Formula
C26H32N2O8
Synonyms
  • Hypostamin
  • Hypostamine
  • Inhibostamin
  • Tritocualina
  • Tritoqualine
  • Tritoqualinum
External IDs
  • 35NZ
  • 554L
  • L-554
  • MCI-5011

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
PathwayCategory
Tritoqualine H1-Antihistamine ActionDrug action
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.
DrugInteraction
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interactions in your software
AmphetamineAmphetamine may decrease the sedative activities of Tritoqualine.
BenzphetamineBenzphetamine may decrease the sedative activities of Tritoqualine.
Benzylpenicilloyl polylysineTritoqualine may decrease effectiveness of Benzylpenicilloyl polylysine as a diagnostic agent.
BetahistineThe therapeutic efficacy of Betahistine can be decreased when used in combination with Tritoqualine.
DextroamphetamineDextroamphetamine may decrease the sedative activities of Tritoqualine.
DiethylpropionDiethylpropion may decrease the sedative activities of Tritoqualine.
DroxidopaThe therapeutic efficacy of Droxidopa can be increased when used in combination with Tritoqualine.
EphedrineThe therapeutic efficacy of Ephedrine can be increased when used in combination with Tritoqualine.
EpinephrineThe therapeutic efficacy of Epinephrine can be increased when used in combination with Tritoqualine.
HyaluronidaseThe therapeutic efficacy of Hyaluronidase can be decreased when used in combination with Tritoqualine.
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Food Interactions
Not Available

Categories

ATC Codes
R06AX21 — Tritoqualine
Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as phthalide isoquinolines. These are organic compounds with a structure characterized by an isoquinoline moiety linked to phthalide.
Kingdom
Organic compounds
Super Class
Alkaloids and derivatives
Class
Phthalide isoquinolines
Sub Class
Not Available
Direct Parent
Phthalide isoquinolines
Alternative Parents
Gallic acid and derivatives / Tetrahydroisoquinolines / Phthalides / Benzofuranones / Benzodioxoles / Anisoles / Alkyl aryl ethers / Aralkylamines / Vinylogous amides / Trialkylamines
show 11 more
Substituents
Acetal / Alkyl aryl ether / Amine / Amino acid or derivatives / Anisole / Aralkylamine / Aromatic heteropolycyclic compound / Azacycle / Benzenoid / Benzodioxole
show 25 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
F4MW5166YH
CAS number
14504-73-5
InChI Key
IRGJVQIJENCTQF-UHFFFAOYSA-N
InChI
InChI=1S/C26H32N2O8/c1-6-31-23-17-16(18(27)24(32-7-2)25(23)33-8-3)26(29)36-21(17)19-15-13(9-10-28(19)4)11-14-20(22(15)30-5)35-12-34-14/h11,19,21H,6-10,12,27H2,1-5H3
IUPAC Name
7-amino-4,5,6-triethoxy-3-{4-methoxy-6-methyl-2H,5H,6H,7H,8H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl}-1,3-dihydro-2-benzofuran-1-one
SMILES
CCOC1=C(OCC)C(OCC)=C(N)C2=C1C(OC2=O)C1N(C)CCC2=CC3=C(OCO3)C(OC)=C12

References

General References
Not Available
Human Metabolome Database
HMDB0240249
ChemSpider
65119
RxNav
38810
ChEBI
135802
ChEMBL
CHEMBL2104445
Wikipedia
Tritoqualine

Clinical Trials

Clinical Trials
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 Solubility0.204 mg/mLALOGPS
logP2.65ALOGPS
logP3.31Chemaxon
logS-3.4ALOGPS
pKa (Strongest Acidic)13.29Chemaxon
pKa (Strongest Basic)7.06Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count9Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area110.94 Å2Chemaxon
Rotatable Bond Count8Chemaxon
Refractivity132.49 m3·mol-1Chemaxon
Polarizability52.8 Å3Chemaxon
Number of Rings5Chemaxon
Bioavailability1Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleYesChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
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

Drug created at June 23, 2017 20:47 / Updated at February 21, 2021 18:54