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CHEBI:229219 - nirogacestat(2+)

ChEBI IDCHEBI:229219
ChEBI Namenirogacestat(2+)
Stars
DefinitionA secondary ammonium ion resulting from the protonation of the two secondary amino groups of nirogacestat; Major species at pH 7.3.
Last Modified16 January 2024
SubmitterAdnan
DownloadsMolfile
FormulaC27H43F2N5O
Net Charge+2
Average Mass491.671
Monoisotopic Mass491.34247
SMILESCCC[C@H]([NH2+][C@H]1CCc2cc(F)cc(F)c2C1)C(=O)Nc1cn(C(C)(C)C[NH2+]CC(C)(C)C)cn1
InChIInChI=1S/C27H41F2N5O/c1-7-8-23(32-20-10-9-18-11-19(28)12-22(29)21(18)13-20)25(35)33-24-14-34(17-31-24)27(5,6)16-30-15-26(2,3)4/h11-12,14,17,20,23,30,32H,7-10,13,15-16H2,1-6H3,(H,33,35)/p+2/t20-,23-/m0/s1
InChIKeyVFCRKLWBYMDAED-REWPJTCUSA-P
ChEBI Ontology
Outgoing Relation(s)
nirogacestat(2+) (CHEBI:229219) is a secondary ammonium ion (CHEBI:137419)
nirogacestat(2+) (CHEBI:229219) is conjugate acid of nirogacestat (CHEBI:229217)
Incoming Relation(s)
nirogacestat dihydrobromide (CHEBI:229218) has part nirogacestat(2+) (CHEBI:229219)
nirogacestat (CHEBI:229217) is conjugate base of nirogacestat(2+) (CHEBI:229219)
IUPAC Name 
(2S)-N-{(2S)-1-[(1-{1-[(2,2-dimethylpropyl)azaniumyl]-2-methylpropan-2-yl}-1H-imidazol-4-yl)amino]-1-oxopentan-2-yl}-6,8-difluoro-1,2,3,4-tetrahydronaphthalen-2-aminium
Synonyms  Source
nirogacestat dicationChEBI
PF-03084014(2+)ChEBI
PF-3084014(2+)ChEBI