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CHEBI:167906 - mefuparib(1+)

ChEBI IDCHEBI:167906
ChEBI Namemefuparib(1+)
Stars
DefinitionA secondary ammonium ion resulting from the protonation of the secondary amino group of mefuparib. The major species at pH 7.3.
Last Modified7 April 2021
SubmitterAdnan
DownloadsMolfile
FormulaC17H16FN2O2
Net Charge+1
Average Mass299.325
Monoisotopic Mass299.11903
SMILESC[NH2+]Cc1ccc(-c2cc3cc(F)cc(C(N)=O)c3o2)cc1
InChIInChI=1S/C17H15FN2O2/c1-20-9-10-2-4-11(5-3-10)15-7-12-6-13(18)8-14(17(19)21)16(12)22-15/h2-8,20H,9H2,1H3,(H2,19,21)/p+1
InChIKeyROBJKLPZIPNAMV-UHFFFAOYSA-O
ChEBI Ontology
Outgoing Relation(s)
mefuparib(1+) (CHEBI:167906) is a secondary ammonium ion (CHEBI:137419)
mefuparib(1+) (CHEBI:167906) is conjugate acid of mefuparib (CHEBI:167905)
Incoming Relation(s)
mefuparib hydrochloride (CHEBI:167899) has part mefuparib(1+) (CHEBI:167906)
mefuparib (CHEBI:167905) is conjugate base of mefuparib(1+) (CHEBI:167906)
IUPAC Name 
[4-(7-carbamoyl-5-fluoro-1-benzofuran-2-yl)phenyl]-N-methylmethanaminium
Synonym  Source
mefuparib cationChEBI