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thiamine(2+)

CHEBI:CHEBI_49107

Definition

A primary ammonium ion that is the conjugate acid of thiamine(1+) resulting from the protonation of the primary amino group.

Chemical Information

Molecular Formula
C12H18N4OS
Molecular Mass
266.36368
Charge
+2
SMILES
Cc1ncc(C[n+]2csc(CCO)c2C)c([NH3+])n1
InChI
InChI=1S/C12H17N4OS/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)/q+1/p+1
InChIKey
JZRWCGZRTZMZEH-UHFFFAOYSA-O

Alternative Names

  • 3-[(4-ammonio-2-methylpyrimidin-5-yl)methyl]-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium
  • 3-[(4-azaniumyl-2-methylpyrimidin-5-yl)methyl]-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium
  • thiamine dication

Drug Classification

Important Medical Information

⚕️ This information is sourced from ChEBI (Chemical Entities of Biological Interest) database and is intended for educational purposes only.

  • Always consult with a healthcare professional before starting, stopping, or modifying any medication.
  • Side effects may vary and this list may not be comprehensive.
  • Drug interactions may occur with other medications.

Additional Identifiers

oboInOwl#hasDbXref
Gmelin:677220
core#notation
CHEBI:49107

Additional References

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Additional Attributes

oboInOwl#hasOBONamespace
chebi_ontology
oboInOwl#hasDbXref
Gmelin:677220
oboInOwl#id
CHEBI:49107
core#notation
CHEBI:49107
oboInOwl#inSubset
http://purl.obolibrary.org/obo/chebi#3_STAR
chebi#is_conjugate_acid_of
http://purl.obolibrary.org/obo/CHEBI_18385
22-rdf-syntax-ns#type
http://www.w3.org/2002/07/owl#Class
chebi#is_conjugate_base_of
http://purl.obolibrary.org/obo/CHEBI_18385
owl#someValuesFrom
t144264
owl#annotatedSource
t231337