Glycerol Tribenzoate

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

Identification

Generic Name
Glycerol Tribenzoate
DrugBank Accession Number
DB16930
Background

Not Available

Type
Small Molecule
Groups
Investigational
Structure
Weight
Average: 404.418
Monoisotopic: 404.125988364
Chemical Formula
C24H20O6
Synonyms
  • 1,2,3-propanetriol, 1,2,3-tribenzoate
  • 1,2,3-propanetriol, tribenzoate
  • Benzoflex s 404
  • Glycerol, tribenzoate
  • Glyceryl tribenzoate
  • Tribenzoin
  • Uniplex 260
External IDs
  • FEMA NO. 3398
  • NSC-2230

Pharmacology

Indication

Not Available

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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
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.
Not Available
Food Interactions
Not Available

Categories

Drug Categories
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
3LZY0X529Y
CAS number
614-33-5
InChI Key
HIZCTWCPHWUPFU-UHFFFAOYSA-N
InChI
InChI=1S/C24H20O6/c25-22(18-10-4-1-5-11-18)28-16-21(30-24(27)20-14-8-3-9-15-20)17-29-23(26)19-12-6-2-7-13-19/h1-15,21H,16-17H2
IUPAC Name
2,3-bis(benzoyloxy)propyl benzoate
SMILES
O=C(OCC(COC(=O)C1=CC=CC=C1)OC(=O)C1=CC=CC=C1)C1=CC=CC=C1

References

General References
Not Available
Human Metabolome Database
HMDB0029556
ChemSpider
55103
ChEBI
175993
ZINC
ZINC000001577210

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedTreatmentNeurological Disorders1

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 Solubility0.00183 mg/mLALOGPS
logP4.11ALOGPS
logP5.65Chemaxon
logS-5.3ALOGPS
pKa (Strongest Basic)-6.4Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count3Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area78.9 Å2Chemaxon
Rotatable Bond Count11Chemaxon
Refractivity109.98 m3·mol-1Chemaxon
Polarizability41.55 Å3Chemaxon
Number of Rings3Chemaxon
Bioavailability0Chemaxon
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 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at September 13, 2022 19:53 / Updated at December 01, 2022 11:32