CHEBI:78244 - oxythiamine chloride hydrochloride

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ChEBI Name oxythiamine chloride hydrochloride
ChEBI ID CHEBI:78244
Definition A hydrochloride obtained by combining oxythiamine chloride with one molar equivalent of hydrochloric acid.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C12H17Cl2N3O2S
Net Charge 0
Average Mass 338.25300
Monoisotopic Mass 337.04185
InChI InChI=1S/C12H15N3O2S.2ClH/c1-8-11(3-4-16)18-7-15(8)6-10-5-13-9(2)14-12(10)17;;/h5,7,16H,3-4,6H2,1-2H3;2*1H
InChIKey HGYQKVVWNZFPJS-UHFFFAOYSA-N
SMILES Cl.[Cl-].Cc1c(CCO)sc[n+]1Cc1cnc(C)nc1O
Roles Classification
Biological Role(s): antimetabolite
A substance which is structurally similar to a metabolite but which competes with it or replaces it, and so prevents or reduces its normal utilization.
vitamin B1 antagonist
An antagonist which acts by inhibiting the action of vitamin B1
View more via ChEBI Ontology
ChEBI Ontology
Outgoing oxythiamine chloride hydrochloride (CHEBI:78244) has part oxythiamine chloride (CHEBI:78246)
oxythiamine chloride hydrochloride (CHEBI:78244) has role antimetabolite (CHEBI:35221)
oxythiamine chloride hydrochloride (CHEBI:78244) has role vitamin B1 antagonist (CHEBI:78248)
oxythiamine chloride hydrochloride (CHEBI:78244) is a hydrochloride (CHEBI:36807)
IUPAC Name
5-(2-hydroxyethyl)-4-methyl-3-[(2-methyl-4-oxo-1,4-dihydropyrimidin-5-yl)methyl]-1,3-thiazol-3-ium chloride hydrochloride
Synonyms Sources
Hydroxythiamine chloride hydrochloride ChemIDplus
Oxythiamine chloride HCl ChemIDplus
Registry Numbers Types Sources
4919499 Reaxys Registry Number Reaxys
614-05-1 CAS Registry Number ChemIDplus
Citation Waiting for Citations Type Source
16337684 PubMed citation Europe PMC
Last Modified
14 April 2014