Vitamin B1
Names
[ CAS No. ]:
59-43-8
[ Name ]:
Vitamin B1
[Synonym ]:
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
Biological Activity
[Description]:
[Related Catalog]:
[Target]
Vitamin[1]
[In Vitro]
[In Vivo]
[Animal admin]
[References]
[Related Small Molecules]
Chemical & Physical Properties
[ 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
Toxicological Information
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)
Safety Information
[ Hazard Codes ]:
Xi
[ Safety Phrases ]:
S26-S36/37/39-S22
[ HS Code ]:
3004500000
Synthetic Route
Precursor & DownStream
Precursor
DownStream
Customs
[ HS Code ]: 3004500000