thiamine hydrochloride (CHEBI:49105)

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ChEBI Name	thiamine hydrochloride

ChEBI ID	CHEBI:49105

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
C12H18Cl2N4OS

Net Charge

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

InChIKey

DPJRMOMPQZCRJU-UHFFFAOYSA-M

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. nutraceutical 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 )

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)

IUPAC Names

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

Last Modified

15 July 2021