Vitamin B1 (Thiamine HCl)

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MedKoo CAT#: 318858

CAS#: 67-03-8 (HCl)

Description: Thiamine, named as the "thio-vitamine" ("sulfur-containing vitamin"), is a vitamin of the B complex. Thiamine is found in a wide variety of foods at low concentrations. Yeast, yeast extract, and pork are the most highly concentrated sources of thiamine. In general, cereal grains are the most important dietary sources of thiamine, by virtue of their ubiquity. Thiamine hydrochloride (Betaxin) is a (when by itself) white, crystalline hygroscopic food-additive used to add a brothy/meaty flavor to gravies or soups. It is a natural intermediary resulting from a thiamine-HCl reaction, which precedes hydrolysis and phosphorylation, before it is finally employed (in the form of TPP) in a number of enzymatic amino, fatty acid, and carbohydrate reactions.

Chemical Structure

Vitamin B1 (Thiamine HCl)
CAS# 67-03-8 (HCl)

Theoretical Analysis

MedKoo Cat#: 318858
Name: Vitamin B1 (Thiamine HCl)
CAS#: 67-03-8 (HCl)
Chemical Formula: C12H18Cl2N4OS
Exact Mass:
Molecular Weight: 337.263
Elemental Analysis: C, 42.74; H, 5.38; Cl, 21.02; N, 16.61; O, 4.74; S, 9.51

Price and Availability

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Related CAS #: 67-03-8 (HCl)   59-43-8 (free)  

Synonym: Thiamine HCl; Vitamin B1; Thiamine hydrochloride; Thio-vitamine. Aneurin.

IUPAC/Chemical Name: 2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol chloride hydrochloride


InChi Code: InChI=1S/C12H17N4OS.2ClH/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);2*1H/q+1;;/p-1

SMILES Code: CC1=C(CCO)SC=[N+]1CC2=CN=C(C)N=C2N.[H]Cl.[Cl-]

Appearance: White to off-white crystalline powder

Purity: >98% (or refer to the Certificate of Analysis)

Shipping Condition: Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.

Storage Condition: Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).

Solubility: Soluble in DMSO, not in water

Shelf Life: >2 years if stored properly

Drug Formulation: This drug may be formulated in DMSO

Stock Solution Storage: 0 - 4 C for short term (days to weeks), or -20 C for long term (months).

HS Tariff Code: 2934.99.9001

Preparing Stock Solutions

The following data is based on the product molecular weight 337.263 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL

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1: Jain A, Mehta R, Al-Ani M, Hill JA, Winchester DE. Determining the Role of Thiamine Deficiency in Systolic Heart Failure: A Meta-Analysis and Systematic Review. J Card Fail. 2015 Oct 20. pii: S1071-9164(15)01129-X. doi: 10.1016/j.cardfail.2015.10.005. [Epub ahead of print] Review. PubMed PMID: 26497757.

2: Castiglioni C, Verrigni D, Okuma C, Diaz A, Alvarez K, Rizza T, Carrozzo R, Bertini E, Miranda M. Pyruvate dehydrogenase deficiency presenting as isolated paroxysmal exercise induced dystonia successfully reversed with thiamine supplementation. Case report and mini-review. Eur J Paediatr Neurol. 2015 Sep;19(5):497-503. doi: 10.1016/j.ejpn.2015.04.008. Epub 2015 May 14. Review. PubMed PMID: 26008863.

3: Koh F, Charlton K, Walton K, McMahon AT. Role of dietary protein and thiamine intakes on cognitive function in healthy older people: a systematic review. Nutrients. 2015 Apr 2;7(4):2415-39. doi: 10.3390/nu7042415. Review. PubMed PMID: 25849949; PubMed Central PMCID: PMC4425152.

4: Steinberg A, Gorman E, Tannenbaum J. Thiamine deficiency in stem cell transplant patients: a case series with an accompanying review of the literature. Clin Lymphoma Myeloma Leuk. 2014 Sep;14 Suppl:S111-3. doi: 10.1016/j.clml.2014.06.009. Review. PubMed PMID: 25486948.

5: Latt N, Dore G. Thiamine in the treatment of Wernicke encephalopathy in patients with alcohol use disorders. Intern Med J. 2014 Sep;44(9):911-5. doi: 10.1111/imj.12522. Review. PubMed PMID: 25201422.

6: Pácal L, Kuricová K, Kaňková K. Evidence for altered thiamine metabolism in diabetes: Is there a potential to oppose gluco- and lipotoxicity by rational supplementation? World J Diabetes. 2014 Jun 15;5(3):288-95. doi: 10.4239/wjd.v5.i3.288. Review. PubMed PMID: 24936250; PubMed Central PMCID: PMC4058733.

7: Afadlal S, Labetoulle R, Hazell AS. Role of astrocytes in thiamine deficiency. Metab Brain Dis. 2014 Dec;29(4):1061-8. doi: 10.1007/s11011-014-9571-y. Epub 2014 Jun 15. Review. PubMed PMID: 24929329.

8: Brown G. Defects of thiamine transport and metabolism. J Inherit Metab Dis. 2014 Jul;37(4):577-85. doi: 10.1007/s10545-014-9712-9. Epub 2014 May 1. Review. PubMed PMID: 24789339.

9: Bettendorff L, Lakaye B, Kohn G, Wins P. Thiamine triphosphate: a ubiquitous molecule in search of a physiological role. Metab Brain Dis. 2014 Dec;29(4):1069-82. doi: 10.1007/s11011-014-9509-4. Epub 2014 Mar 4. Review. PubMed PMID: 24590690.

10: Roman-Campos D, Cruz JS. Current aspects of thiamine deficiency on heart function. Life Sci. 2014 Mar 7;98(1):1-5. doi: 10.1016/j.lfs.2013.12.029. Epub 2014 Jan 4. Review. PubMed PMID: 24398040.

11: Guilland JC. [Vitamin B1 (thiamine)]. Rev Prat. 2013 Oct;63(8):1074-5, 1077-8. Review. French. PubMed PMID: 24298824.

12: Tabarki B, Al-Hashem A, Alfadhel M. Biotin-Thiamine-Responsive Basal Ganglia Disease. 2013 Nov 21. In: Pagon RA, Adam MP, Ardinger HH, Wallace SE, Amemiya A, Bean LJH, Bird TD, Fong CT, Mefford HC, Smith RJH, Stephens K, editors. GeneReviews® [Internet]. Seattle (WA): University of Washington, Seattle; 1993-2015. Available from PubMed PMID: 24260777.

13: Nardone R, Höller Y, Storti M, Christova M, Tezzon F, Golaszewski S, Trinka E, Brigo F. Thiamine deficiency induced neurochemical, neuroanatomical, and neuropsychological alterations: a reappraisal. ScientificWorldJournal. 2013 Oct 21;2013:309143. doi: 10.1155/2013/309143. eCollection 2013. Review. PubMed PMID: 24235882; PubMed Central PMCID: PMC3818926.

14: Bettendorff L, Wins P. Thiamine triphosphatase and the CYTH superfamily of proteins. FEBS J. 2013 Dec;280(24):6443-55. doi: 10.1111/febs.12498. Epub 2013 Sep 10. Review. PubMed PMID: 24021036.

15: DiNicolantonio JJ, Niazi AK, Lavie CJ, O'Keefe JH, Ventura HO. Thiamine supplementation for the treatment of heart failure: a review of the literature. Congest Heart Fail. 2013 Jul-Aug;19(4):214-22. doi: 10.1111/chf.12037. Review. PubMed PMID: 23910704.

16: Lu'o'ng KV, Nguyễn LT. The role of thiamine in cancer: possible genetic and cellular signaling mechanisms. Cancer Genomics Proteomics. 2013 Jul-Aug;10(4):169-85. Review. PubMed PMID: 23893925.

17: Day E, Bentham PW, Callaghan R, Kuruvilla T, George S. Thiamine for prevention and treatment of Wernicke-Korsakoff Syndrome in people who abuse alcohol. Cochrane Database Syst Rev. 2013 Jul 1;7:CD004033. doi: 10.1002/14651858.CD004033.pub3. Review. PubMed PMID: 23818100.

18: Alfadhel M, Almuntashri M, Jadah RH, Bashiri FA, Al Rifai MT, Al Shalaan H, Al Balwi M, Al Rumayan A, Eyaid W, Al-Twaijri W. Biotin-responsive basal ganglia disease should be renamed biotin-thiamine-responsive basal ganglia disease: a retrospective review of the clinical, radiological and molecular findings of 18 new cases. Orphanet J Rare Dis. 2013 Jun 6;8:83. doi: 10.1186/1750-1172-8-83. Review. PubMed PMID: 23742248; PubMed Central PMCID: PMC3691666.

19: Zhao R, Goldman ID. Folate and thiamine transporters mediated by facilitative carriers (SLC19A1-3 and SLC46A1) and folate receptors. Mol Aspects Med. 2013 Apr-Jun;34(2-3):373-85. doi: 10.1016/j.mam.2012.07.006. Review. PubMed PMID: 23506878; PubMed Central PMCID: PMC3831518.

20: Luong KV, Nguyễn LT. The beneficial role of thiamine in Parkinson disease. CNS Neurosci Ther. 2013 Jul;19(7):461-8. doi: 10.1111/cns.12078. Epub 2013 Mar 6. Review. PubMed PMID: 23462281.

Additional Information

Related CAS#
CAS#67-03-8 (Thiamine HCl salt);
CAS#59-43-8 (Thiamine free base)