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| CAS No.: | 59-43-8 |
|---|---|
| Name: | Thiamine chloride |
| Article Data: | 18 |
| Molecular Structure: | |
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| Formula: | C12H17ClN4OS |
| Molecular Weight: | 337.273 |
| Synonyms: | VB1;Thiamine(8CI);Thiazolium, 3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-5-(2-hydroxyethyl)-4-methyl-chloride (9CI);Aneurine;Apatate Drape;Beivon;Bethiamin;Oryzanin;Thiacoat;Thiamin;Thiamine monochloride;Vitamin B1;Vitaneurin;thiamine;3-[(4-Amino-2-methyl-5-pyrimidinyl)methyl]-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium chloride; |
| EINECS: | 200-425-3 |
| Density: | 6 g/cm3 |
| Melting Point: | 125 °C |
| Appearance: | white fine powder |
| PSA: | 104.15000 |
| LogP: | -1.80710 |
- 81281-59-67-Benzylideneaminotheophylline
- 82993-81-5D-threo-Ritalinic acid hydrochloride
- 73441-42-6METHYL-5-CHLORO-2,2-DIMETHYLVALERATE
- 68439-39-4Poly(oxy-1,2-ethanediyl), alpha-(2-ethylhexyl)-omega-hydroxy-,
- 852475-26-4MC1568
- 958254-66-51H-Imidazo[4,5-b]pyridine-2-carboxaldehyde, 1-methyl-, hydrochloride
- 99170-93-1N-Methyl-2-oxazolamine
- 717878-06-31-(4-fluorophenyl)-4-nitro-1H-imidazole
- 914458-26-7[5-(2-fluorophenyl)-1-pentyl-1H-pyrrol-3-yl]-1-naphthalenyl-Methanone
- 894852-01-87-BROMO-2,2-DIMETHYL-2H-PYRIDO[3,2-B][1,4]OXAZIN-3(4H)-ONE
| Conditions | Yield |
|---|---|
| With sodium hydroxide In ethanol | 100% |
- 299-35-4
3-(4-amino-2-methyl-pyrimidin-5-ylmethyl)-5-(2-hydroxy-ethyl)-4-methyl-3H-thiazole-2-thione
- 59-43-8
vitamin B1
| Conditions | Yield |
|---|---|
| (i) aq. H2O2, (ii) aq. HCl; Multistep reaction; |
- 22580-38-7
3-(4-amino-2-methyl-pyrimidin-5-ylmethyl)-5-(2-hydroxy-ethyl)-2-hydroxymethyl-4-methyl-thiazolium; chloride monohydrochloride
- 59-43-8
vitamin B1
| Conditions | Yield |
|---|---|
| With hydrogenchloride |
- 24912-08-1
[3-(4-amino-2-methyl-pyrimidin-5-ylmethyl)-3a-methyl-hexahydro-furo[2,3-d]thiazol-2-yl]-phenyl-methanone
- 59-43-8
vitamin B1
| Conditions | Yield |
|---|---|
| With hydrogenchloride In ethanol; acetone Ambient temperature; |
- 27350-85-2, 134876-54-3
2-(α-hydroxybenzyl)thiaminium chloride
A
- 93-58-3
benzoic acid methyl ester
B
- 59-43-8
vitamin B1
C
- 100-52-7
benzaldehyde
| Conditions | Yield |
|---|---|
| With potassium hydroxide; oxygen In methanol Mechanism; and under aerobic conditions; |
- 67-56-1
methanol
- 27350-85-2, 134876-54-3
2-(α-hydroxybenzyl)thiaminium chloride
A
- 93-58-3
benzoic acid methyl ester
B
- 59-43-8
vitamin B1
| Conditions | Yield |
|---|---|
| With thymoquinone; sodium acetate; acetic acid Rate constant; var. conc. of quinone and buffer; var. quinones; | |
| With oxygen; sodium acetate; acetic acid at 25℃; Mechanism; Rate constant; |
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: (i) aq. NaOH, H2S, EtOH, (ii) /BRN= 126861/, (iii) /BRN= 1854721/ 2: aq. HCl / ethanol; acetone / Ambient temperature View Scheme |
- 59-43-8
vitamin B1
| Conditions | Yield |
|---|---|
| With water In water at 20℃; | 90% |
- 59-43-8
vitamin B1
- 90076-65-6
bis(trifluoromethane)sulfonimide lithium
| Conditions | Yield |
|---|---|
| With water at 20℃; | 89% |
- 59-43-8
vitamin B1
| Conditions | Yield |
|---|---|
| With pyridine; sulfamate de pentachlorophenyle at 100℃; for 2h; | 86% |
- 112-02-71-Hexadecanaminium,N,N,N-trimethyl-, chloride (1:1)
- 58-32-2Dypyridamole
- 57808-66-9Domperidone
- 7786-81-4Sulfuric acid,nickel(2+) salt (1:1)
- 104-88-14-Chlorobenzaldehyde
- 151096-09-23-Quinolinecarboxylicacid,1-cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-7-[(4aS,7aS)-octahydro-6H-pyrrolo[3,4-b]pyridin-6-yl]-4-oxo-
- 12150-46-81,1'-Bis(diphenylphosphino)ferrocene
- 26099-09-2Polymaleic acid
- 104987-11-3Tacrolimus
- 141-53-7Sodium formate
- 8001-54-5Quaternary ammonium compounds, alkylbenzyldimethyl, chlorides
- 9003-39-8Povidone
- 10161-34-9Trenbolone acetate
- 402957-28-2Telaprevir
- 68-19-9Cyanocobalamin
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Specification
The Thiamine chloride, with the CAS registry number 59-43-8 and EINECS registry number 200-425-3, has the systematic name of 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium chloride. It is also known as vitamin B1, and belongs to the following product categories: Vitamins and Derivatives; Nutritional Supplements; Vitamin Ingredients. And the molecular formula of this chemical is C12H17ClN4OS.
The Thiamine chloride is a colorless compound, and it is stable at acidic pH, but is unstable in alkaline solutions. It is unstable to heat, but stable during frozen storage. It is also unstable when exposed to ultraviolet light and gamma irradiation. Thiamine chloride is soluble in water, methanol, and glycerol, but practically insoluble in acetone, ether, chloroform, and benzene.
The physical properties of Thiamine chloride are as following: (1)#H bond acceptors: 5; (2)#H bond donors: 3; (3)#Freely Rotating Bonds: 5; (4)Polar Surface Area: 70.37 Å2.
Preparation and uses of Thiamine chloride: It can be prepared by acetamidine hydrochloride and dimethoxy-β-α-methoxy propionitrile via a series of condensation, hydrolyzation, neutralization, oxidation and acidification. What's more, it is often used as feed additive. And it palys an important role in the normal activities of the digestive system and nerve conduction.
You can still convert the following datas into molecular structure:
(1)SMILES: [Cl-].n1c(c(cnc1C)C[n+]2c(c(sc2)CCO)C)N
(2)InChI: InChI=1/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
(3)InChIKey: MYVIATVLJGTBFV-REWHXWOFAY
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| man | TDLo | multiple routes | 214mg/kg/30W- (214mg/kg) | SKIN AND APPENDAGES (SKIN): "DERMATITIS, OTHER: AFTER SYSTEMIC EXPOSURE" | Zhongguo Yaoxue Zazhi. Chinese Pharmacuetical Journal. Vol. 30, Pg. 407, 1995. |
| mouse | LD50 | subcutaneous | 301mg/kg (301mg/kg) | Journal of Pharmacology and Experimental Therapeutics. Vol. 119, Pg. 444, 1957. |