CAS 352431-24-4|Glyceryl Tri(octanoate-d15)

Introduction:Basic information about CAS 352431-24-4|Glyceryl Tri(octanoate-d15), including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
Common NameGlyceryl Tri(octanoate-d15)
CAS Number352431-24-4Molecular Weight515.96
Density1.0±0.1 g/cm3Boiling Point508.0±17.0 °C at 760 mmHg
Molecular FormulaC27H5D45O6Melting Point/
MSDSChineseUSAFlash Point209.3±21.0 °C

Names

Nameglyceryl tri(octanoate-d15)
SynonymMore Synonyms

Glyceryl Tri(octanoate-d15) BiologicalActivity

DescriptionTricaprilin-d15 is the deuterium labeled Tricaprilin. Tricaprilin (Trioctanoin) is used in study for patients with mild to moderate Alzheimer's disease and has a role as an anticonvulsant and a plant metabolite[1][2].
In VitroStable heavy isotopes of hydrogen, carbon, and other elements have been incorporated into drug molecules, largely as tracers for quantitation during the drug development process. Deuteration has gained attention because of its potential to affect the pharmacokinetic and metabolic profiles of drugs[1].
References

[1]. Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019;53(2):211-216.

[2]. Tricaprylin

[3]. Kwok MK, et al. Re-thinking Alzheimer's disease therapeutic targets using gene-based tests. EBioMedicine. 2018 Nov;37:461-470.

Chemical & Physical Properties

Density1.0±0.1 g/cm3
Boiling Point508.0±17.0 °C at 760 mmHg
Molecular FormulaC27H5D45O6
Molecular Weight515.96
Flash Point209.3±21.0 °C
Exact Mass515.643188
PSA78.90000
LogP9.33
Vapour Pressure0.0±1.3 mmHg at 25°C
Index of Refraction1.458
InChIKeyVLPFTAMPNXLGLX-PMCKLPPWSA-N
SMILESCCCCCCCC(=O)OCC(COC(=O)CCCCCCC)OC(=O)CCCCCCC

Synonyms

Glyceryl Tri(octanoate-d15)
Propane-1,2,3-triyl tri(H)octanoate
1,2,3-Propanetriyl tri(H)octanoate
Octanoic-d acid, 1,2,3-propanetriyl ester
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