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CHEBI:49105 - thiamine hydrochloride

ChEBI IDCHEBI:49105
ChEBI Namethiamine hydrochloride
Stars
DefinitionA hydrochloride obtained by combining thiamine chloride with one molar equivalent of hydrochloric acid.
Last Modified15 July 2021
SubmitterKirill Degtyarenko
DownloadsMolfile

FormulaC12H17N4OS.Cl.HCl
Net Charge0
Average Mass337.276
Monoisotopic Mass336.05784
SMILESCc1ncc(C[n+]2csc(CCO)c2C)c(N)n1.Cl.[Cl-]
InChIInChI=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
InChIKeyDPJRMOMPQZCRJU-UHFFFAOYSA-M

Roles Classification

ChEBI Ontology
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  Source
thiamine(2+) dichlorideChemIDplus
thiamine chloride hydrochlorideChemIDplus
thiamine HClChemIDplus
thiaminium chloride hydrochlorideChemIDplus
thiamine dichlorideChemIDplus
thiamin hydrochlorideChemIDplus
Manual XrefsDatabases
D02094KEGG DRUG
DBSALT000205DrugBank
FDB008416FooDB
5967ChemSpider
Registry NumbersSources
Beilstein:3851771Beilstein
Beilstein:3642937Beilstein
Gmelin:31154Gmelin
Gmelin:691133Gmelin
Reaxys:17124533Reaxys
CAS:67-03-8ChemIDplus
Citations