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CHEBI:77264 - esomeprazole(1−)

ChEBI IDCHEBI:77264
ChEBI Nameesomeprazole(1−)
Stars
ASCII Nameesomeprazole(1-)
DefinitionAn organic anion resulting from the deprotonation of the hydrogen-bearing nitrogen of the imidazole group of esomeprazole.
Last Modified10 February 2014
SubmitterGareth Owen
DownloadsMolfile
FormulaC17H18N3O3S
Net Charge-1
Average Mass344.416
Monoisotopic Mass344.10744
SMILESCOc1ccc2[n-]c([S@@](=O)Cc3ncc(C)c(OC)c3C)nc2c1
InChIInChI=1S/C17H18N3O3S/c1-10-8-18-15(11(2)16(10)23-4)9-24(21)17-19-13-6-5-12(22-3)7-14(13)20-17/h5-8H,9H2,1-4H3/q-1/t24-/m0/s1
InChIKeyMZXXONIZWOBROX-DEOSSOPVSA-N
ChEBI Ontology
Outgoing Relation(s)
esomeprazole(1−) (CHEBI:77264) is a organic anion (CHEBI:25696)
esomeprazole(1−) (CHEBI:77264) is conjugate base of esomeprazole (CHEBI:50275)
Incoming Relation(s)
esomeprazole magnesium (CHEBI:50309) has part esomeprazole(1−) (CHEBI:77264)
esomeprazole (CHEBI:50275) is conjugate acid of esomeprazole(1−) (CHEBI:77264)
IUPAC Name 
5-methoxy-2-{(S)-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]sulfinyl}benzimidazol-1-ide