NAV

Triacetin

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

Identification

Summary

Triacetin is an acetylating agent indicated in the treatment of ringworm.

Generic Name
Triacetin
DrugBank Accession Number
DB16005
Background

Not Available

Type
Small Molecule
Groups
Experimental
Structure
3D
Similar Structures
Weight
Average: 218.205
Monoisotopic: 218.079038171
Chemical Formula
C9H14O6
Synonyms
  • 1,2,3-Propanetriol triacetate
  • Glyceryl triacetate
  • Triacetin
  • Triacetina
  • Triacetine
  • Triacetinum
External IDs
  • 203-051-9
  • E-1518
  • FEMA NO. 2007
  • INS NO.1518
  • NSC-4796
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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/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

Products

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Mixture Products
NameIngredientsDosageRouteLabellerMarketing StartMarketing EndRegionImage
อัลเบอร์-ทีTriacetin (20 g/100g) + Tolnaftate (2 g/100g)OintmentTopicalบริษัท ยูนีซัน จำกัด1984-12-06Not applicableThailand flag
อีซอน-ทีTriacetin (20 g/100g) + Tolnaftate (2 g/100g)SolutionTopicalบริษัท ยูนีซัน จำกัด1985-09-26Not applicableThailand flag

Categories

Drug Categories
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
XHX3C3X673
CAS number
102-76-1
InChI Key
URAYPUMNDPQOKB-UHFFFAOYSA-N
InChI
InChI=1S/C9H14O6/c1-6(10)13-4-9(15-8(3)12)5-14-7(2)11/h9H,4-5H2,1-3H3
IUPAC Name
1,3-bis(acetyloxy)propan-2-yl acetate
SMILES
CC(=O)OCC(COC(C)=O)OC(C)=O

References

General References
  1. FDA Thailand: Ezon-T (Tolnaftate, Triacetin) Topical Ointment [Link]
  2. FDA Thailand: Ezon-T (Tolnaftate, Triacetin) Topical Solution [Link]
Human Metabolome Database
HMDB0029592
ChemSpider
13835706
RxNav
10756
ChEBI
9661
ChEMBL
CHEMBL1489254
ZINC
ZINC000001530705
Wikipedia
Triacetin

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2WithdrawnTreatmentAspartoacylase / Canavan Disease / Deficiency Diseases / Infantile / Leukodystrophy, Spongiform1
Not AvailableUnknown StatusTreatmentCanavan Disease1

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
FormRouteStrength
OintmentTopical
SolutionTopical
Prices
Not Available
Patents
Not Available

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility11.3 mg/mLALOGPS
logP0.4ALOGPS
logP-0.52Chemaxon
logS-1.3ALOGPS
pKa (Strongest Basic)-6.5Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count3Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area78.9 Å2Chemaxon
Rotatable Bond Count8Chemaxon
Refractivity47.97 m3·mol-1Chemaxon
Polarizability21.13 Å3Chemaxon
Number of Rings0Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon
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/MSsplash10-066s-7930000000-f1587397a4ef3af109af
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0a4i-9300000000-706e35ec880acee16f0c
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-052g-9200000000-26e06804ccbab16c53c1
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0a4i-9300000000-f481279a98b47cea92d6
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-000i-9000000000-6968a75f4ab77acf9012
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0a4i-9100000000-8af676fa79edd9bec91d
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-157.0504186
predicted
DarkChem Lite v0.1.0
[M-H]-157.3291186
predicted
DarkChem Lite v0.1.0
[M-H]-157.2839186
predicted
DarkChem Lite v0.1.0
[M-H]-157.0387186
predicted
DarkChem Lite v0.1.0
[M-H]-145.28076
predicted
DeepCCS 1.0 (2019)
[M+H]+157.7205186
predicted
DarkChem Lite v0.1.0
[M+H]+158.0212186
predicted
DarkChem Lite v0.1.0
[M+H]+157.7094186
predicted
DarkChem Lite v0.1.0
[M+H]+155.5895186
predicted
DarkChem Lite v0.1.0
[M+H]+147.8118
predicted
DeepCCS 1.0 (2019)
[M+Na]+157.8972186
predicted
DarkChem Lite v0.1.0
[M+Na]+157.7669186
predicted
DarkChem Lite v0.1.0
[M+Na]+157.9151186
predicted
DarkChem Lite v0.1.0
[M+Na]+158.0538186
predicted
DarkChem Lite v0.1.0
[M+Na]+156.76407
predicted
DeepCCS 1.0 (2019)

Drug created at December 10, 2020 21:28 / Updated at May 05, 2021 20:32