Glycerol Tribenzoate
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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
- Improve decision support & research outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!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.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
- External Links
- Human Metabolome Database
- HMDB0029556
- ChemSpider
- 55103
- ChEBI
- 175993
- ZINC
- ZINC000001577210
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 1 Completed Treatment Neurological Disorders 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 0.00183 mg/mL ALOGPS logP 4.11 ALOGPS logP 5.65 Chemaxon logS -5.3 ALOGPS pKa (Strongest Basic) -6.4 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 78.9 Å2 Chemaxon Rotatable Bond Count 11 Chemaxon Refractivity 109.98 m3·mol-1 Chemaxon Polarizability 41.55 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 0 Chemaxon Rule of Five No 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 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Not Available
Drug created at September 13, 2022 19:53 / Updated at December 01, 2022 11:32