This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Triethyl citrate
- DrugBank Accession Number
- DB16827
- Background
Not Available
- Type
- Small Molecule
- Groups
- Investigational
- Structure
Structure for Triethyl citrate (DB16827)
- Weight
- Average: 276.285
Monoisotopic: 276.120902984 - Chemical Formula
- C12H20O7
- Synonyms
- Citric acid ethyl ester
- Citric acid triethyl ester
- External IDs
- E-1505
- FEMA NO. 3083
- INS-1505
- NSC-8907
Pharmacology
- Indication
Not Available
Reduce drug development failure ratesBuild, train, & validate machine-learning modelswith evidence-based and structured datasets.Build, train, & validate predictive machine-learning models with structured datasets.- Contraindications & Blackbox Warnings
Avoid life-threatening adverse drug eventsImprove clinical decision support with information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.Avoid life-threatening adverse drug events & improve clinical decision support.- 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.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
- 8Z96QXD6UM
- CAS number
- 77-93-0
- InChI Key
- DOOTYTYQINUNNV-UHFFFAOYSA-N
- InChI
- InChI=1S/C12H20O7/c1-4-17-9(13)7-12(16,11(15)19-6-3)8-10(14)18-5-2/h16H,4-8H2,1-3H3
- IUPAC Name
- 1,2,3-triethyl 2-hydroxypropane-1,2,3-tricarboxylate
- SMILES
- CCOC(=O)CC(O)(CC(=O)OCC)C(=O)OCC
References
- General References
- Not Available
- External Links
- Human Metabolome Database
- HMDB0034263
- ChemSpider
- 13850879
- 1310554
- ChEBI
- 168426
- ChEMBL
- CHEMBL464988
- ZINC
- ZINC000001648322
- Wikipedia
- Triethyl_citrate
Clinical Trials
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 10.7 mg/mL ALOGPS logP 1.17 ALOGPS logP 0.19 Chemaxon logS -1.4 ALOGPS pKa (Strongest Acidic) 11.82 Chemaxon pKa (Strongest Basic) -4.2 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 99.13 Å2 Chemaxon Rotatable Bond Count 11 Chemaxon Refractivity 64.18 m3·mol-1 Chemaxon Polarizability 27.64 Å3 Chemaxon Number of Rings 0 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
- Not Available
Drug created at July 15, 2022 16:19 / Updated at December 01, 2022 11:30