Thiamine Nitrate
Basic information
- CAS
532-43-4- Standard SMILES
Cc1ncc(C[n+]2csc(CCO)c2C)c(N)n1.O=[N+]([O-])[O-]- InChIKey
UIERGBJEBXXIGO-UHFFFAOYSA-N- Molecular formula
- C12H17N4OS.NO3
- Average molar mass
- 327.36 g/mol
- Monoisotopic mass
- 327.10012502
Names & identifiers
- Preferred name
- Thiamine Nitrate
- IUPAC
- 2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol nitrate
- English name
- Thiamine nitrate
- Molecular formula
- C12H17N5O4S
- Molecular weight
- 327.36
Names & synonyms
thiamine nitrate532-43-4THIAMINE MONONITRATEVitamin B1 mononitrateAneurine mononitrateBetabion mononitrateThiamine nitrate (salt)thiamin mononitrateThiamini mononitrasDTXSID4038762Vitamin b1 (as thiamine nitrate)Mononitrate, Thiamine
Show more names
Vitamin B1 MonoThiaMine MonohydrateVITAMIN B1 NITRATEThiamine nitrate CRSvitamin Bl mononitrateThia532-43-4mine NitrateVitamin B1 Nitrate 〔Thiamine Nitrate〕
8K0I04919XThiamine mononitrate (USP)Thiamine mononitrate [USP]DTXCID20187623-[(4-Amino-2-methylpyrimidin-5-yl)methyl]-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium nitrate3-((4-amino-2-methylpyrimidin-5-yl)methyl)-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium nitrateRefChem:1892523-(4-Amino-2-methylpyrimidin-5-ylmethyl)-5-(2-hydroxyethyl)-4-methylthiazolium nitrate
Database identifiers
- CAS
532-43-4- PubChem CID
- 10762
- DTXSID
DTXSID4038762- ChEMBL
CHEMBL2104496- UNII
- 8K0I04919X
- EC Number
- 208-537-4
Properties
Computed structural properties
- Topological polar surface area
- 167 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 287
Experimental & physicochemical properties
CosmeticsSkin conditioning
Food AdditivesNUTRIENT SUPPLEMENT -> FDA Substance added to food
Physicochemical properties
- Melting point
- 374 · 374-392 °C
- Density
- 1.58 g/cm3 · 1.58 g/cm3
- storage temp.
- 2 · 2-8°C
- solubility
- Sparingly soluble in water, freely soluble in boiling water, slightly soluble in alcohol and in methanol.
- form
- solid
- pka
- 4.8 · 4.8(at 25℃)
- color
- White to Off-White
- Odor
- wh. cryst. or cryst. powd., sl. char. odor
- biological source
- synthetic
- Merck
- 14 · 14,9295
- BRN
- 3857790 · 3857790
- Stability
- Stable. Incompatible with strong oxidizing agents.
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (67 of 67) of all reports.
Not Classified
Aggregated GHS information provided per 67 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: Thiazolium, 3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-5-(2-hydroxyethyl)-4-methyl-, nitrate (salt)
Regulation (EC) No 1831/2003 (amended)
Thiamine mononitrate: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to environment
Hazard Classes and CategoriesNot Classified
Safety data
- wgk
- 1
- tsca
- TSCA listed
- rtecs
- XI7400000
- hs_code
- 29362200
- safety_code
- 22-24/25
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Pharmacology
MeSH Pharmacological ClassificationA group of water-soluble vitamins, some of which are COENZYMES.
Uses & manufacturing
Use ClassificationCosmetics -> Skin conditioning
General Manufacturing InformationThiazolium, 3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-5-(2-hydroxyethyl)-4-methyl-, nitrate (1:1): ACTIVE
Applications
DescriptionThiamine 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.
DescriptionThiamine 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).
UsesThiamine Nitrate is an orally administered vitamin. Thiamine is a essential nutrient required for carbohydrate metabolism and is involved in nerve function.
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Compound notes
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