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Thiamine-[d3] Hydrochloride

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General Information
Catalog: BLP-004624
Molecular Formula: C12H15D3Cl2N4OS
Molecular Weight: 340.29

Chemical Structure

Description	Thiamine-[d3] Hydrochloride is a stable isotope labelled form of Thiamine Hydrochloride. Thiamine or vitamin B1 is a water-soluble vitamin of the B complex, its phosphate derivatives are involved in many cellular processes.
Synonyms	3-[(4-Amino-2-(methyl-d3)-5-pyrimidinyl)methyl]-5-(2-hydroxyethyl)-4-methyl-chloridethiazolium Hydrochloride; Aneurine-d3 Hydrochloride; Apate Drops-d3; Begiolan-d3; Eskapen-d3; Thiamin-d3 Dichloride; Vinothiam-d3; Vitamin B1-d3 Hydrochloride; Vitaneuron-d3
IUPAC Name	2-[3-[[4-amino-2-(trideuteriomethyl)pyrimidin-5-yl]methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol;chloride;hydrochloride
Related CAS	67-03-8 (unlabelled)
Canonical SMILES	CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCO.Cl.[Cl-]
InChI	InChI=1S/C12H17N4OS.2ClH/c1-8-11(3-4-17)18-7-16(8)6-10-5-14-9(2)15-12(10)13;;/h5,7,17H,3-4,6H2,1-2H3,(H2,13,14,15);2*1H/q+1;;/p-1/i2D3;;
InChI Key	DPJRMOMPQZCRJU-DHLLOTLESA-M
Melting Point	240-242°C (dec.)
Purity	>98%
Solubility	Soluble in Methanol, Water
Appearance	White Solid
Storage	Store at -20°C