Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | 2C12H17N4OS.2Br.2BrH.H2O |
| Molecular Weight | 870.356 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
O.Br.Br.[Br-].[Br-].CC1=C(CCO)SC=[N+]1CC2=CN=C(C)N=C2N.CC3=C(CCO)SC=[N+]3CC4=CN=C(C)N=C4N
InChI
InChIKey=FRXIQIQFJIRBSL-UHFFFAOYSA-L
InChI=1S/2C12H17N4OS.4BrH.H2O/c2*1-8-11(3-4-17)18-7-16(8)6-10-5-14-9(2)15-12(10)13;;;;;/h2*5,7,17H,3-4,6H2,1-2H3,(H2,13,14,15);4*1H;1H2/q2*+1;;;;;/p-2
| Molecular Formula | H2O |
| Molecular Weight | 18.0153 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | Br |
| Molecular Weight | 79.904 |
| Charge | -1 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | C12H17N4OS |
| Molecular Weight | 265.355 |
| Charge | 1 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
Thiamine, also known as vitamin B1, plays a key role in the human metabolism. It is present in many dietary sources such as meats, eggs, fish, beans and peas, nuts, and whole grains. Upon administration thiamine is converted by thiamine
pyrophosphokinase-1 (TPK1) to the active form, thiamine pyrophosphate, which serves as a cofactor for enzymes involved in the TCA cycle and the non-oxidative part of the pentose phosphate pathway. The lack of thiamine may cause the thiamine deficiency. The classical syndrome caused primarily by thiamine deficiency in humans is beriberi, however, symptoms of thiamine deficiency also include congestive heart failure, metabolic acidosis, confusion, ataxia and seizures. Thiamine is a component of many vitamin complexes, which are approved for the treatmen and prevention of general vitamin deficiency, including the thiamine deficiency.
Originator
Approval Year
Targets
| Primary Target | Pharmacology | Condition | Potency |
|---|---|---|---|
Target ID: Q9H3S4 Gene ID: 27010.0 Gene Symbol: TPK1 Target Organism: Homo sapiens (Human) |
|||
Target ID: GO:0005975 |
|||
Target ID: WP408 |
Conditions
| Condition | Modality | Targets | Highest Phase | Product |
|---|---|---|---|---|
| Preventing | M.V.I.-12 Approved UseM.V.I.-12 Unit Vial, is indicated for the prevention of vitamin deficiency in adults and children aged 11 years and above who are on warfarin anticoagulant therapy receiving home parenteral nutrition. Launch Date1953 |
Cmax
| Value | Dose | Co-administered | Analyte | Population |
|---|---|---|---|---|
40 nM EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/22305197/ |
100 mg single, oral dose: 100 mg route of administration: Oral experiment type: SINGLE co-administered: |
THIAMINE blood | Homo sapiens population: HEALTHY age: ADULT sex: FEMALE / MALE food status: FED |
|
39 nM EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/22305197/ |
100 mg single, oral dose: 100 mg route of administration: Oral experiment type: SINGLE co-administered: |
THIAMINE plasma | Homo sapiens population: HEALTHY age: ADULT sex: FEMALE / MALE food status: FED |
|
95 nM EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/22305197/ |
500 mg single, oral dose: 500 mg route of administration: Oral experiment type: SINGLE co-administered: |
THIAMINE blood | Homo sapiens population: HEALTHY age: ADULT sex: FEMALE / MALE food status: FED |
|
113 nM EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/22305197/ |
500 mg single, oral dose: 500 mg route of administration: Oral experiment type: SINGLE co-administered: |
THIAMINE plasma | Homo sapiens population: HEALTHY age: ADULT sex: FEMALE / MALE food status: FED |
|
386 nM EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/22305197/ |
1500 mg single, oral dose: 1500 mg route of administration: Oral experiment type: SINGLE co-administered: |
THIAMINE blood | Homo sapiens population: HEALTHY age: ADULT sex: FEMALE / MALE food status: FED |
|
397 nM EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/22305197/ |
1500 mg single, oral dose: 1500 mg route of administration: Oral experiment type: SINGLE co-administered: |
THIAMINE plasma | Homo sapiens population: HEALTHY age: ADULT sex: FEMALE / MALE food status: FED |
AUC
| Value | Dose | Co-administered | Analyte | Population |
|---|---|---|---|---|
214 nM × h EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/22305197/ |
100 mg single, oral dose: 100 mg route of administration: Oral experiment type: SINGLE co-administered: |
THIAMINE blood | Homo sapiens population: HEALTHY age: ADULT sex: FEMALE / MALE food status: FED |
|
177 nM × h EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/22305197/ |
100 mg single, oral dose: 100 mg route of administration: Oral experiment type: SINGLE co-administered: |
THIAMINE plasma | Homo sapiens population: HEALTHY age: ADULT sex: FEMALE / MALE food status: FED |
|
623 nM × h EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/22305197/ |
500 mg single, oral dose: 500 mg route of administration: Oral experiment type: SINGLE co-administered: |
THIAMINE blood | Homo sapiens population: HEALTHY age: ADULT sex: FEMALE / MALE food status: FED |
|
612 nM × h EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/22305197/ |
500 mg single, oral dose: 500 mg route of administration: Oral experiment type: SINGLE co-administered: |
THIAMINE plasma | Homo sapiens population: HEALTHY age: ADULT sex: FEMALE / MALE food status: FED |
|
2046 nM × h EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/22305197/ |
1500 mg single, oral dose: 1500 mg route of administration: Oral experiment type: SINGLE co-administered: |
THIAMINE blood | Homo sapiens population: HEALTHY age: ADULT sex: FEMALE / MALE food status: FED |
|
2059 nM × h EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/22305197/ |
1500 mg single, oral dose: 1500 mg route of administration: Oral experiment type: SINGLE co-administered: |
THIAMINE plasma | Homo sapiens population: HEALTHY age: ADULT sex: FEMALE / MALE food status: FED |
T1/2
| Value | Dose | Co-administered | Analyte | Population |
|---|---|---|---|---|
3.92 h EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/22305197/ |
500 mg single, oral dose: 500 mg route of administration: Oral experiment type: SINGLE co-administered: |
THIAMINE plasma | Homo sapiens population: HEALTHY age: ADULT sex: FEMALE / MALE food status: FED |
|
4.78 h EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/22305197/ |
1500 mg single, oral dose: 1500 mg route of administration: Oral experiment type: SINGLE co-administered: |
THIAMINE blood | Homo sapiens population: HEALTHY age: ADULT sex: FEMALE / MALE food status: FED |
|
2.97 h EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/22305197/ |
1500 mg single, oral dose: 1500 mg route of administration: Oral experiment type: SINGLE co-administered: |
THIAMINE plasma | Homo sapiens population: HEALTHY age: ADULT sex: FEMALE / MALE food status: FED |
PubMed
| Title | Date | PubMed |
|---|---|---|
| Juvenile polyneuropathy due to vitamin B1 deficiency-clinical observations and pathogenetic analysis of 24 cases. | 1976 |
|
| Effect of thiamine hydrochloride on lead induced lipid peroxidation in rat liver and kidney. | 2000 Aug |
|
| [Evaluation of vitamin and immune status of patients with chronic palatal tonsillitis]. | 2001 |
|
| Influence of a probiotic yoghurt on the status of vitamins B(1), B(2) and B(6) in the healthy adult human. | 2001 |
|
| Biosynthesis of menaquinone (vitamin K2) and ubiquinone (coenzyme Q): a perspective on enzymatic mechanisms. | 2001 |
|
| Rapid diagnosis of alcoholic ketoacidosis by proton NMR. | 2001 Apr |
|
| Do breastfed infants need supplemental vitamins? | 2001 Apr |
|
| Conditioned nutritional deficiencies in the cardiomyopathic hamster heart. | 2001 Apr |
|
| Nutritional evaluation of ethanol-extracted lentil flours. | 2001 Apr |
|
| Suppression of the accumulation of triosephosphates and increased formation of methylglyoxal in human red blood cells during hyperglycaemia by thiamine in vitro. | 2001 Apr |
|
| [Chronic alcohol abuse. Benfotiamine in alcohol damage is a must]. | 2001 Apr 19 |
|
| Aroma extract dilution analysis of a beeflike process flavor from extruded enzyme-hydrolyzed soybean protein. | 2001 Feb |
|
| Wernicke's encephalopathy following gastroplasty for morbid obesity. | 2001 Feb |
|
| Lactic acidosis update for critical care clinicians. | 2001 Feb |
|
| Chorea induced by thiamine deficiency in hemodialysis patients. | 2001 Feb |
|
| Inhibitors of advanced glycation end product-associated protein cross-linking. | 2001 Feb 14 |
|
| Reaction mechanism for mammalian pyruvate dehydrogenase using natural lipoyl domain substrates. | 2001 Feb 15 |
|
| [Unusual MR findings of Wernicke encephalopathy with cortical involvement]. | 2001 Jan |
|
| Isolation and characterization of a human thiamine pyrophosphokinase cDNA. | 2001 Jan 26 |
|
| Thiamine-responsive megaloblastic anemia syndrome: a disorder of high-affinity thiamine transport. | 2001 Jan-Feb |
|
| Cardiac beriberi among illegal mainland Chinese immigrants. | 2001 Jan-Feb |
|
| Vitamin requirements of the cultured flesh fly cells, Sarcophaga peregrina (Diptera, Sarcophagidae). | 2001 Jan-Feb |
|
| Learning from biomedical time series through the integration of qualitative models and fuzzy systems. | 2001 Jan-Mar |
|
| Use of vitamin supplements and cataract: the Blue Mountains Eye Study. | 2001 Jul |
|
| Low thiamine intake and risk of cataract. | 2001 Jul |
|
| Nerve conduction changes in patients with mitochondrial diseases treated with dichloroacetate. | 2001 Jul |
|
| Mechanism of thiamine uptake by human colonocytes: studies with cultured colonic epithelial cell line NCM460. | 2001 Jul |
|
| Sulfur compounds reduce potato toxins during extrusion cooking. | 2001 Jun |
|
| Slc19a2: cloning and characterization of the murine thiamin transporter cDNA and genomic sequence, the orthologue of the human TRMA gene. | 2001 Jun |
|
| Chronic heart failure and micronutrients. | 2001 Jun 1 |
|
| Comparison of a self-administered quantitative food amount frequency questionnaire with 4-day estimated food records. | 2001 Mar |
|
| Aging potentiates the acute and chronic neurological symptoms of pyrithiamine-induced thiamine deficiency in the rodent. | 2001 Mar 15 |
|
| The genes for anabolic 2-oxoglutarate: ferredoxin oxidoreductase from Hydrogenobacter thermophilus TK-6. | 2001 Mar 30 |
|
| [Metabolic characteristics of the Yarrowia lipolytica strain producing alpha-ketoglutaric and citric acids from ethanol and the effect of [NH4+] and [O2] on yeast respiration and biosynthesis]. | 2001 Mar-Apr |
|
| [Isolation, purification and properties of acetolactate synthase from cultured Lactococcus lactis]. | 2001 Mar-Apr |
|
| The application of capillary electrophoresis to the analysis of vitamins in food and beverages. | 2001 May |
|
| Pharmacotherapy of mental illness--a historical analysis. | 2001 May |
|
| The use of thiamine and thiamine antagonists to investigate the etiology of early mortality syndrome in lake trout (Salvelinus namaycush). | 2001 May |
Patents
Sample Use Guides
The starting dose (as a component of M.V.I.–12) is one 10 mL daily dose added directly to an intravenous fluid.
Route of Administration:
Intravenous
Human Caco-2 cells were incubated (37 Celsius) in Krebs-Ringer buffer (pH 7.4) for different periods of time in the presence of 0.1 uM and 10 uM thiamine. The uptake study demonstrated that thiamine is transported across the cell membrane with Michaelis-Menten constant of 3.18 uM.
| Substance Class |
Chemical
Created
by
admin
on
Edited
Mon Mar 31 23:06:05 GMT 2025
by
admin
on
Mon Mar 31 23:06:05 GMT 2025
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| Record UNII |
WV7TS40872
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| Record Status |
Validated (UNII)
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| Record Version |
|
-
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WV7TS40872
Created by
admin on Mon Mar 31 23:06:05 GMT 2025 , Edited by admin on Mon Mar 31 23:06:05 GMT 2025
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92135631
Created by
admin on Mon Mar 31 23:06:05 GMT 2025 , Edited by admin on Mon Mar 31 23:06:05 GMT 2025
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THIAMINE HYDROBROMIDE HEMIHYDRATE
Created by
admin on Mon Mar 31 23:06:05 GMT 2025 , Edited by admin on Mon Mar 31 23:06:05 GMT 2025
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PRIMARY | Description: A white to yellowish white, crystalline powder; odour, slight and characteristic. Solubility: Freely soluble in water and in methanol R; sparingly soluble in ethanol (~750 g/l) TS; practically insoluble in ether R. Category: Component of vitamin B. Storage: Thiamine hydrobromide should be kept in a tightly closed, non-metallic container, protected from light. Definition: Thiamine hydrobromide contains not less than 98.0% and not more than 101.0% of C12H17BrN4OS,HBr, calculated with reference to the dried substance. | ||
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62084-87-1
Created by
admin on Mon Mar 31 23:06:05 GMT 2025 , Edited by admin on Mon Mar 31 23:06:05 GMT 2025
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PARENT -> SALT/SOLVATE | |||
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ANHYDROUS->SOLVATE |
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ACTIVE MOIETY |