CHEBI:49105 - thiamine hydrochloride

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ChEBI Name thiamine hydrochloride
Definition A hydrochloride obtained by combining thiamine chloride with one molar equivalent of hydrochloric acid.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formulae C12H17N4OS.HCl.Cl
Net Charge 0
Average Mass 337.270
Monoisotopic Mass 336.05784
InChI 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 C([N+]=1C(=C(SC1)CCO)C)C=2C(=NC(C)=NC2)N.[Cl-].Cl
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
Biological Role(s): water-soluble vitamin (role)
Any vitamin that dissolves in water and readily absorbed into tissues for immediate use. Unlike the fat-soluble vitamins, they are not stored in the body and need to be replenished regularly in the diet and will rarely accumulate to toxic levels since they are quickly excreted from the body via urine.
(via B vitamin )
Application(s): insect repellent
An insecticide that acts as a repellent to insects.
A product in capsule, tablet or liquid form that provide essential nutrients, such as a vitamin, an essential mineral, a protein, an herb, or similar nutritional substance.
(via B vitamin )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing thiamine hydrochloride (CHEBI:49105) has part thiamine(2+) (CHEBI:49107)
thiamine hydrochloride (CHEBI:49105) has role insect repellent (CHEBI:71692)
thiamine hydrochloride (CHEBI:49105) is a hydrochloride (CHEBI:36807)
thiamine hydrochloride (CHEBI:49105) is a vitamin B1 (CHEBI:26948)
Incoming thiamine hydrochloride dihydrate (CHEBI:132751) has part thiamine hydrochloride (CHEBI:49105)
3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium chloride hydrochloride
3-[(4-azaniumyl-2-methylpyrimidin-5-yl)methyl]-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium dichloride
Synonyms Sources
thiamin dichloride ChemIDplus
thiamin hydrochloride ChemIDplus
thiamine chloride hydrochloride ChemIDplus
thiamine dichloride ChemIDplus
thiamine HCl ChemIDplus
thiamine(2+) dichloride ChemIDplus
thiaminium chloride hydrochloride ChemIDplus
vitamin B1 hydrochloride ChemIDplus
Manual Xrefs Databases
5967 ChemSpider
DBSALT000205 DrugBank
FDB008416 FooDB
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Registry Numbers Types Sources
17124533 Reaxys Registry Number Reaxys
31154 Gmelin Registry Number Gmelin
3642937 Beilstein Registry Number Beilstein
3851771 Beilstein Registry Number Beilstein
67-03-8 CAS Registry Number ChemIDplus
691133 Gmelin Registry Number Gmelin
Citations Waiting for Citations Types Sources
11548854 PubMed citation Europe PMC
12224421 PubMed citation Europe PMC
21212548 PubMed citation Europe PMC
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32562525 PubMed citation Europe PMC
32824791 PubMed citation Europe PMC
IND605711145 Agricola citation Europe PMC
IND606057536 Agricola citation Europe PMC
Last Modified
15 July 2021