CAS Number59-43-8
Synonyms3-[(4-Amino-2-methylpyrimidin-5-yl)methyl]-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium chloride; Vitamin B1; thiamine hydrochloride; MFCD00044586; 3-((4-Amino-2-methyl-5-pyrimidinyl)methyl)-5-(2- hydroxyethyl)-4-methylthiazolium chloride; Aneurin; thiazolium, 3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-5-(2-hydroxyethyl)-4-methyl-, chloride; 2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol,chloride; Thiamine chloride; EINECS 200-425-3; Thiaminium chloride; Thiamine; Thiamine monochloride
Molecular FormulaC12H17ClN4OS
Molecular Weight300.81
Purity98%
Density6 g/cm3
Melting Point125 °C
AppearanceLight white to light yellow crystal or crystalline powder
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 59-43-8 |
| Catalog No. | 2A-9012947 |
| Chinese Name | 维生素 B1 |
| Synonyms | 3-[(4-Amino-2-methylpyrimidin-5-yl)methyl]-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium chloride; Vitamin B1; thiamine hydrochloride; MFCD00044586; 3-((4-Amino-2-methyl-5-pyrimidinyl)methyl)-5-(2- hydroxyethyl)-4-methylthiazolium chloride; Aneurin; thiazolium, 3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-5-(2-hydroxyethyl)-4-methyl-, chloride; 2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol,chloride; Thiamine chloride; EINECS 200-425-3; Thiaminium chloride; Thiamine; Thiamine monochloride |
| Molecular Formula | C12H17ClN4OS |
| Molecular Weight | 300.81 |
| Purity | 98 |
| Density | 6 g/cm3 |
| Melting Point | 125 °C |
| Appearance | Light white to light yellow crystal or crystalline powder |
| Water Solubility | soluble |
| Storage Condition | Room temperature, dry, sealed |
| Application | Thiamine nitrate is an essential vitamin that plays an important role in energy production by food-ingested cells and enhances normal neuronal activity. |
| HTC | 3004500000 |
| MDL Number | C12H17ClN4OS |
| SMILES | Cc1ncc(C[n+]2csc(CCO)c2C)c(N)n1.[Cl-] |
| InChI | InChI=1S/C12H17N4OS.ClH/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);1H/q+1;/p-1 |
| InChI Key | MYVIATVLJGTBFV-UHFFFAOYSA-M |
| MSDS | msds/12947_1_59_43_8.pdf |
| Use of | Thiamine monochloride (Vitamin B1) is an essential vitamin that plays an important role in cellular production of energy from ingested food and enhances normal neuronal actives. Properties Name thiamine(1+) chloride Synonym More Synonyms Vitamin B1 Biological Activity Description Thiamine monochloride (Vitamin B1) is an essential vitamin that plays an important role in cellular production of energy from ingested food and enhances normal neuronal actives. Related Catalog Signaling Pathways >> Others >> Others Research Areas >> Metabolic Disease Research Areas >> Neurological Disease Vitamin[1] References [1]. Kenneth Osiezagha, et al.Thiamine Deficiency and Delirium. Innov Clin Neurosci. 2013 Apr; 10(4): 26-32. [2]. Kaoru Suzuki, et al. High-dose thiamine prevents brain lesions and prolongs survival ofSlc19a3-deficient mice. PLoS One. 2017; 12(6): e0180279. Chemical & Physical Properties Exact Mass 300.081146 PSA 104.15000 LogP 1.99090 InChIKey MYVIATVLJGTBFV-UHFFFAOYSA-M Water Solubility soluble Toxicological Information CHEMICAL IDENTIFICATION RTECS NUMBER : CHEMICAL NAME : Thiamine, chloride CAS REGISTRY NUMBER : LAST UPDATED : DATA ITEMS CITED : MOLECULAR FORMULA : C12-H17-N4-O-S.Cl MOLECULAR WEIGHT : WISWESSER LINE NOTATION : T6N CNJ B1 DZ E1- AT5K CSJ D2Q E1 &Q &G HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Multiple routes SPECIES OBSERVED : Human - man DOSE/DURATION : TOXIC EFFECTS : Skin and Appendages - dermatitis, other (after systemic exposure) REFERENCE : ZYZAEU Zhongguo Yaoxue Zazhi. Chinese Pharmacuetical Journal. (China International Book Trading Corp., POB 2820, Beijing, Peop. China) V.24- 1989- Volume(issue)/page/year: 30,407,1995 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Subcutaneous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Intravenous SEX/DURATION : female 8 day(s) after conception TOXIC EFFECTS : Reproductive - Specific Developmental Abnormalities - Central Nervous System Reproductive - Specific Developmental Abnormalities - musculoskeletal system REFERENCE : Safety Information Hazard Codes Xi HS Code 3004500000 Synthetic Route Thiamine hydroc... CAS#:67-03-8 Vitamin B1 CAS#:59-43-8 Literature: Karimian, Khashayar; Mohanazadeh, Farajollah Synthesis, 1986 , # 12 p. 1065 - 1067 [3-(4-amino-2-m... CAS#:24912-08-1 Vitamin B1 CAS#:59-43-8 Literature: Chemical and pharmaceutical bulletin, , vol. 15, # 4 p. 448 - 453 4-AMINO-5-AMINO... CAS#:95-02-3 Vitamin B1 CAS#:59-43-8 Literature: Chemical and pharmaceutical bulletin, , vol. 15, # 4 p. 448 - 453 Precursor & DownStream Precursor 7 CAS#:67-03-8 Thiamine hydroc... CAS#:24912-08-1 [3-(4-amino-2-m... CAS#:95-02-3 4-AMINO-5-AMINO... CAS#:22580-38-7 3-(4-amino-2-me... DownStream 10 CAS#:492-94-4 CAS#:28168-46-9 furan-2-yl-[5-(... CAS#:552-86-3 2,2'-Furoin CAS#:74015-70-6 2-methylthiolan... |
| Transport Info | Product name: Vitamin B1 |
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