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59-43-8

59-43-8 structure
59-43-8 structure
  • Name: Vitamin B1
  • Chemical Name: thiamine(1+) chloride
  • CAS Number: 59-43-8
  • Molecular Formula: C12H17ClN4OS
  • Molecular Weight: 300.808
  • Catalog: API Vitamins and minerals Vitamin B drugs
  • Create Date: 2018-07-06 21:37:08
  • Modify Date: 2024-01-02 18:58:06
  • 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.
Name thiamine(1+) chloride
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
5-(2-Hydroxyethyl)-3-[(6-imino-2-methyl-1,6-dihydro-5-pyrimidinyl)methyl]-4-methyl-1,3-thiazol-3-ium chloride
EINECS 200-425-3
Thiaminium chloride
Thiazolium, 3-[(1,6-dihydro-6-imino-2-methyl-5-pyrimidinyl)methyl]-5-(2-hydroxyethyl)-4-methyl-, chloride (1:1)
Thiamine
Thiamine monochloride
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
Target

Vitamin[1]

In Vitro Thiamine levels in the blood of homozygous KO and KI mice feed a conventional diet are decreased to 0.058±0.051 and 0.126±0.092 μM, respectively, at 7 weeks compared to WT mice (0.796±0.259 μM). When WT and homozygous KO and KI mice are fed a thiamine-restricted diet (thiamine: 0.60 mg/100 g food), blood thiamine concentration at 5 and 14 days is markedly decreased to 0.010±0.009 and 0.010±0.006 μM, respectively, compared to WT mice (0.609±0.288 μM). Thiamine concentration in brain homogenate of WT mice fed a conventional diet is 3.81±2.18 nmol/g wet weight, and that of KO and KI is 1.33±0.96 and 2.16±1.55 nmol/g wet weight, respectively. Notably, thiamine concentration in brain homogenate decreased steadily in KO and KI mice fed a thiamine-restricted diet (thiamine: 0.60 mg/100 g food) for 5 days (0.95±0.72 nmol/g wet weight) and 14 days (1.11±0.24 nmol/g wet weight), respectively, compared to WT (3.65±1.02 nmol/g wet weight), before the mice presented an phenotype of disease[2].
In Vivo WT, homozygous, and heterozygous KO and KI mice feed a conventional diet (thiamine: 1.71 mg/100 g) survive for over 6 months without any phenotype of disease. Homozygous KO and KI mice feed a thiamine-restricted diet (thiamine: 0.60 mg/100 g food) showe paralysis, weight loss, and immobility, and die within 12 and 30 days, respectively. Similarly, homozygous KO and KI mice feed a thiamine-restricted diet with an even lower percentage of thiamine (thiamine: 0.27 mg/100 g food) die within 14 and 18 days, respectively. However, WT and heterozygous KO and KI mice feed a thiamine-restricted diet (thiamine: 0.60 mg or 0.27 mg/100g food) survive for over 6 months without any phenotype of disease[2].
Animal Admin Slc19a3 E314Q KI mice are maintained routinely with conventional diet, which has a thiamine concentration (thiamine hydrochloride, MW=337.3) of 1.71 mg/100 g food. two types of thiamine-restricted food based on “purified diets for laboratory rodents” are prepared, in which thiamine concentration is 0.60 mg/100 g food (35% thiamine of conventional food) or 0.27 mg/100 g food (16% thiamine of conventional food). A high-thiamine-containing food is also prepared from AIN-93M, in which thiamine concentration is five times that of CE-2 (thiamine: 8.50 mg/100 g food). Thiamine concentration is determined at Japan Food Research Laboratories[2].
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.
Density 6 g/cm3
Melting Point 125 °C
Molecular Formula C12H17ClN4OS
Molecular Weight 300.808
Exact Mass 300.081146
PSA 104.15000
LogP 1.99090
Water Solubility soluble

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XI6550000
CHEMICAL NAME :
Thiamine, chloride
CAS REGISTRY NUMBER :
59-43-8
LAST UPDATED :
199701
DATA ITEMS CITED :
8
MOLECULAR FORMULA :
C12-H17-N4-O-S.Cl
MOLECULAR WEIGHT :
300.84
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 :
214 mg/kg/30W-I
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 :
301 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 119,444,1957 ** REPRODUCTIVE DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intravenous
DOSE :
20 mg/kg
SEX/DURATION :
female 8 day(s) after conception
TOXIC EFFECTS :
Reproductive - Specific Developmental Abnormalities - Central Nervous System Reproductive - Specific Developmental Abnormalities - musculoskeletal system
REFERENCE :
TOIZAG Toho Igakkai Zasshi. Journal of Medical Society of Toho University. (Toho Daigaku Igakkai, 21-16, Omori-nishi, 5-chome, Ota-ku, Tokyo 143, Japan) V.1- 1954- Volume(issue)/page/year: 8,175,1961 *** REVIEWS *** TOXICOLOGY REVIEW IRXPAT International Review of Experimental Pathology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1962- Volume(issue)/page/year: 3,219,1964 TOXICOLOGY REVIEW CRTXB2 CRC Critical Reviews in Toxicology. (CRC Press, Inc., 2000 Corporate Blvd., NW, Boca Raton, FL 33431) V.1- 1971- Volume(issue)/page/year: 2,365,1973 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 82022 No. of Facilities: 1673 (estimated) No. of Industries: 7 No. of Occupations: 9 No. of Employees: 5002 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 82022 No. of Facilities: 813 (estimated) No. of Industries: 6 No. of Occupations: 20 No. of Employees: 18939 (estimated) No. of Female Employees: 9502 (estimated)
Hazard Codes Xi
Safety Phrases S26-S36/37/39-S22
HS Code 3004500000
67-03-8 structure

67-03-8

~97%

59-43-8 structure

59-43-8

Literature: Karimian, Khashayar; Mohanazadeh, Farajollah Synthesis, 1986 , # 12 p. 1065 - 1067
24912-08-1 structure

24912-08-1

~%

59-43-8 structure

59-43-8

Literature: Chemical and pharmaceutical bulletin, , vol. 15, # 4 p. 448 - 453
95-02-3 structure

95-02-3

~%

59-43-8 structure

59-43-8

Literature: Chemical and pharmaceutical bulletin, , vol. 15, # 4 p. 448 - 453
22580-38-7 structure

22580-38-7

~%

59-43-8 structure

59-43-8

Literature: Chemical and pharmaceutical bulletin, , vol. 17, # 2 p. 343 - 347
299-35-4 structure

299-35-4

~%

59-43-8 structure

59-43-8

Literature: J. Appl. Chem. USSR (Engl. Transl.), , vol. 34, p. 229 - 232,219 - 221
67-56-1 structure

67-56-1

27350-85-2 structure

27350-85-2

~%

93-58-3 structure

93-58-3

59-43-8 structure

59-43-8

Literature: Russian Journal of General Chemistry, , vol. 64, # 6.2 p. 937 - 940 Zhurnal Obshchei Khimii, , vol. 64, # 6 p. 1037 - 1040
27350-85-2 structure

27350-85-2

~%

93-58-3 structure

93-58-3

59-43-8 structure

59-43-8

100-52-7 structure

100-52-7

Literature: J. Gen. Chem. USSR (Engl. Transl.), , vol. 60, # 8.2. p. 1867 - 1871,1669 - 1672
HS Code 3004500000

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