NAV

Triethyl citrate

This drug entry is astuband 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
 3D
Similar Structures
Weight
Average: 276.285
Monoisotopic: 276.120902984
Chemical Formula
C12H20O7
Synonyms
  • Citric acid ethyl ester
  • 柠檬酸三乙酯
External IDs
  • E-1505
  • FEMA NO. 3083
  • INS-1505
  • NSC-8907

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
Not Available
Pharmacogenomic Effects/ADRsBrowse all" title="" id="snp-actions-info" class="drug-info-popup" href="javascript:void(0);">
Not Available

Interactions

Drug InteractionsLearn More" title="" id="structured-interactions-info" class="drug-info-popup" href="javascript:void(0);">
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
Human Metabolome Database
HMDB0034263
ChemSpider
13850879
RxNav
1310554
ChEBI
168426
ChEMBL
CHEMBL464988
ZINC
ZINC000001648322
Wikipedia
Triethyl_citrate

Clinical Trials

Clinical TrialsLearn More" title="" id="clinical-trials-info" class="drug-info-popup" href="javascript:void(0);">
Phase Status Purpose Conditions Count

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