Thiamine-d3-hydrochloride

Category	Endogenous Metabolite
Description	Thiamine-d3 (Thiamine chloride-d3) hydrochloride is the deuterium labeled Thiamine hydrochloride. Thiamine hydrochloride (Thiamine chloride hydrochloride) is an essential micronutrient needed as a cofactor for many central Metabolic enzymes.

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Synonyms	Thiamine-d3 (hydrochloride)\|Thiamine-d3 Hydrochloride\|HY-N0680S1\|CS-0369578\|2-[3-[[4-amino-2-(trideuteriomethyl)pyrimidin-5-yl]methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol;chloride;hydrochloride
Molecular Weight	340.29
Molecular Formula	C12H18Cl2N4OS
Canonical SMILES	CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCO.Cl.[Cl-]
Melting Point	246-254°C
Flash Point	100°C
Purity	≥98% (HPLC)
Density	1.401 g/cm3
Solubility	Methanol (Slightly), Water (Slightly)
Appearance	White to off-white solid powder
Storage	Store at -20°C
Complexity	269
Exact Mass	339.0766680
In Vitro	Stable 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.
PSA	104.15000
Target	Endogenous Metabolite; Apoptosis; HBV