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CHEBI:15797 - 1-(4-amino-2-methylpyrimidin-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium bromide

ChEBI IDCHEBI:15797
ChEBI Name1-(4-amino-2-methylpyrimidin-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium bromide
Stars
DefinitionA pyridinium salt that is 1-(4-amino-2-methylpyrimidin-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium having bromide as the counterion.
Secondary ChEBI IDsCHEBI:568, CHEBI:11188, CHEBI:18962
Last Modified9 December 2024
DownloadsMolfile
FormulaBr.C14H19N4O
Net Charge0
Average Mass339.237
Monoisotopic Mass338.07422
SMILESCc1ncc(C[n+]2cccc(CCO)c2C)c(N)n1.[Br-]
InChIInChI=1S/C14H19N4O.BrH/c1-10-12(5-7-19)4-3-6-18(10)9-13-8-16-11(2)17-14(13)15;/h3-4,6,8,19H,5,7,9H2,1-2H3,(H2,15,16,17);1H/q+1;/p-1
InChIKeyGUWSQVZFXHIGLN-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
1-(4-amino-2-methylpyrimidin-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium bromide (CHEBI:15797) has part pyrithiamine (CHEBI:72290)
1-(4-amino-2-methylpyrimidin-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium bromide (CHEBI:15797) is a organic bromide salt (CHEBI:48369)
1-(4-amino-2-methylpyrimidin-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium bromide (CHEBI:15797) is a pyridinium salt (CHEBI:38188)
IUPAC Name 
1-[(4-amino-2-methylpyrimidin-5-yl)methyl]-3-(2-hydroxyethyl)-2-methylpyridinium bromide
Synonyms  Source
1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromideKEGG COMPOUND
PyrithiamineKEGG COMPOUND
Manual XrefsDatabases
C04905KEGG COMPOUND
Registry NumbersSources
Reaxys:21133376Reaxys
CAS:616-92-2Reaxys
Citations