Thiamine nitrate

Base Information

• Chemical Name: Thiamine nitrate
• CAS No.: 532-43-4
• Deprecated CAS: 92739-10-1,1210110-58-9
• Molecular Formula: C12H17N5O4S
• Molecular Weight: 327.364
• Hs Code.: H17N5O4S MOL WT. 327.36
• European Community (EC) Number: 208-537-4
• UNII: 8K0I04919X
• DSSTox Substance ID: DTXSID4038762
• Wikipedia: Thiamine nitrate
• Wikidata: Q7783874
• NCI Thesaurus Code: C87669
• RXCUI: 10456
• Metabolomics Workbench ID: 45081
• ChEMBL ID: CHEMBL2104496
• Mol file: 532-43-4.mol

Synonyms:Aneurin;Mononitrate, Thiamine;Thiamin;Thiamine;Thiamine Mononitrate;Vitamin B 1;Vitamin B1

Chemical Property of Thiamine nitrate

Chemical Property:

• Appearance/Colour: white crystal powder
• Melting Point: 196-200 °C
• Refractive Index: FLASH POINT
• PKA: 4.8(at 25℃)
• PSA: 173.03000
• LogP: 1.47300
• Storage Temp.: 2-8°C
• Solubility.: Sparingly soluble in water, freely soluble in boiling water, slightly soluble in alcohol and in methanol.
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 4
• Exact Mass: 327.10012521
• Heavy Atom Count: 22
• Complexity: 287

Purity/Quality:

99.90% ^*data from raw suppliers

Thiamine Nitrate ^*data from reagent suppliers

Safty Information:

• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCO.[N+](=O)([O-])[O-]
• Recent ClinicalTrials: Effect of Thiamin Supplementation on Thiamin Status in Children With Heart Disease Receiving Diuretic Drugs
• Recent EU Clinical Trials: Prednisolone and vitamin B1, B6, and B12 in patients with Post-COVID-19-Syndrome (PC19S) – a randomized controlled trial in primary care
• Description: Thiamine nitrate is the thiamine salt formed from one mole of thiamine base and one mole of nitric acid. It occurs as an anhydrous crystalline solid of low hygroscopicity. Thiamin (vitamin B1) is a member of the vitamin B complex. Attributing to low hydroscopicity, thiamine nitrate works as a more stable form of thiamine in pharmaceutical preparations. Thiamine nitrate is preferred to be used for the preparation of multivitamins and as a food fortification in dry blends and dry products such as in wheat flour. Thiamine is a water-soluble vitamin with antioxidant, neuroprotective, and anxiolytic properties. It inhibits lipid peroxidation in rat liver microsomes and free radical oxidation of oleic acid in vitro when used at concentrations ranging from 1 to 100 μM. In vivo, thiamine (100 mg/kg) reduces hepatic levels of aspartate aminotransferase (AST) and alanine aminotransferase (ALT), lipid peroxidation, and protein damage in a rat model of acute ethanol intoxication. It reverses predator stress-induced suppression of hippocampal neurogenesis and decreases the latency of step-down from a platform, indicating anxiolytic-like activity in mice. Thiamine (8.5 mg/100 g food) reduces neurodegeneration and increases survival in Slc19a3-/- mice, a model of thiamine metabolism dysfunction syndrome-2 (THMD-2).
• Uses: Thiamine Nitrate is an orally administered vitamin. Thiamine is a essential nutrient required for carbohydrate metabolism and is involved in nerve function. Vitamin B1.

Technology Process of Thiamine nitrate

There total 6 articles about Thiamine nitrate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 94.56%

thiamine sulfate → vitamin B1 mononitrate (532-43-4,92739-10-1)

Guidance literature:

With ammonium hydroxide; nitric acid; at 10 ℃; for 3.5h; pH=7 - 8; Temperature; pH-value;

Reference yield:

Aneurin (70-16-6) → vitamin B1 mononitrate (532-43-4,92739-10-1)

Guidance literature:

With dihydrogen peroxide; nitric acid; In water; at 20 ℃; pH=3.5;

Reference yield:

thiamine sulfate (2380-61-2) → vitamin B1 mononitrate (532-43-4,92739-10-1)

Guidance literature:

With ammonium nitrate; ammonium hydroxide; for 0.25h; pH=7.3; Reagent/catalyst; pH-value;

upstream raw materials:

3-(4-amino-2-methyl-pyrimidin-5-ylmethyl)-5-(2-hydroxy-ethyl)-4-methyl-3H-thiazole-2-thione

Thiamine hydrochloride

Aneurin

thiamine sulfate

Refernces

• 1、 -. "Preparation method of thiamine mononitrate". Paragraph 0040-0063. . Retrieved 2019/07/10.
• 2、 -. "Preparation method for bulk crystal product of thiamine nitrate". Paragraph 0034; 0035; 0036; 0037. . Retrieved 2016/11/28.