Thiazolium,3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-5-(2-hydroxyethyl)-4-methyl-chloride (1:1), hydrochloride (1:1)

The Thiamine hydrochloride is an organic compound with the formula C₁₂H₁₇ClN₄OS^.HCl. The IUPAC name of this chemical is 2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol chloride hydrochloride. With the CAS registry number 67-03-8, it is also named as 3-[(4-Amino-2-methyl-5-pyrimidinyl)methyl]-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium chloride hydrochloride. The product's categories are Biochemistry; Vitamins; Vitamins and Derivatives; Vitamin Ingredients; Miscellaneous Compounds. Besides, it is a white crystalline powder, which should be stored in a closed dark and cool place.

All living organisms use thiamine in their biochemistry, but it is synthesized in bacteria, fungi, and plants. Animals must obtain it from their diet, and, thus, for them it is a vitamin. Insufficient intake in birds produces a characteristic polyneuritis, and in mammals results in a disease called beriberi affecting the peripheral nervous system (polyneuritis) and/or the cardiovascular system, with fatal outcome if not cured by thiamine administration. In less severe deficiency, nonspecific signs include malaise, weight loss, irritability and confusion. Thiamine derivatives with improved pharmacokinetics have been discovered and are to be considered more effective in alleviating the symptoms of thiamine deficiency and other thiamine-related conditions such as impaired glucose metabolism in diabetes.

Physical properties about Thiamine hydrochloride are: (1)#H bond acceptors: 5; (2)#H bond donors: 3; (3)#Freely Rotating Bonds: 5; (4)Polar Surface Area: 70.37 Å².

Uses of Thiamine hydrochloride: it can be used to produce 3-(4-amino-2-methyl-pyrimidin-5-ylmethyl)-5-(2-hydroxy-ethyl)-4-methyl-thiazolium; chloride. It will need reagent aq. NaOH and solvent ethanol. The yield is about 100%.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable gloves and eye/face protection, do not breathe dust and avoid contact with skin and eyes. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: [Cl-].Cl.n1c(c(cnc1C)C[n+]2c(c(sc2)CCO)C)N
(2)InChI: InChI=1/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
(3)InChIKey: DPJRMOMPQZCRJU-REWHXWOFAZ
(4)Std. 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
(5)Std. InChIKey: DPJRMOMPQZCRJU-UHFFFAOYSA-M

The toxicity data is as follows: