CAS 38645-14-6|1,3-Propanediol-d2

Introduction:Basic information about CAS 38645-14-6|1,3-Propanediol-d2, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
Common Name1,3-Propanediol-d2
CAS Number38645-14-6Molecular Weight78.10670
Density/Boiling Point/
Molecular FormulaC3H6D2O2Melting Point/
MSDS/Flash Point/

Names

Name1,3-propane-2,2-d2-diol
SynonymMore Synonyms

1,3-Propanediol-d2 BiologicalActivity

Description1,3-Propanediol-d2 is the deuterium labeled 1,3-Propanediol[1]. 1,3-Propanediol is produced in nature by the fermentation of glycerol in microorganism[2].
Related CatalogResearch Areas >>OthersSignaling Pathways >>Others >>Others
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 Feb;53(2):211-216.  

[2]. F. Barbirato, et al. Glycerol fermentation by a new 1,3-propanediol-producing microorganism:Enterobacter agglomerans. Applied Microbiology and Biotechnology volume 43, pages786-793(1995).

Chemical & Physical Properties

Molecular FormulaC3H6D2O2
Molecular Weight78.10670
Exact Mass78.06500
PSA40.46000
InChIKeyYPFDHNVEDLHUCE-DICFDUPASA-N
SMILESOCCCO

Synonyms

1,3-propanediol-2-d2
CH3CD2CH3
1,3-propanediol-2,2-d2
2,2-dideuteriopropane-1,3-diol
Propane-2,2-d2
propane-1,3-diol-2,2-d2
2,2-dideuterio-propane
2,2-Dideuterio-propan
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