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CHEBI:134695 - rucaparib(1+)

ChEBI IDCHEBI:134695
ChEBI Namerucaparib(1+)
Stars
DefinitionAn organic cation obtained by protonation of the secondary amino function of rucaparib.
Last Modified22 February 2017
SubmitterSteve
DownloadsMolfile
FormulaC19H19FN3O
Net Charge+1
Average Mass324.379
Monoisotopic Mass324.15067
SMILESC[NH2+]Cc1ccc(-c2nc3cc(F)cc4c3c2CCNC4=O)cc1
InChIInChI=1S/C19H18FN3O/c1-21-10-11-2-4-12(5-3-11)18-14-6-7-22-19(24)15-8-13(20)9-16(23-18)17(14)15/h2-5,8-9,21,23H,6-7,10H2,1H3,(H,22,24)/p+1
InChIKeyHMABYWSNWIZPAG-UHFFFAOYSA-O
ChEBI Ontology
Outgoing Relation(s)
rucaparib(1+) (CHEBI:134695) is a ammonium ion derivative (CHEBI:35274)
rucaparib(1+) (CHEBI:134695) is a organic cation (CHEBI:25697)
rucaparib(1+) (CHEBI:134695) is conjugate acid of rucaparib (CHEBI:134689)
Incoming Relation(s)
rucaparib camsylate (CHEBI:134692) has part rucaparib(1+) (CHEBI:134695)
rucaparib (CHEBI:134689) is conjugate base of rucaparib(1+) (CHEBI:134695)
IUPAC Name 
[4-(8-fluoro-6-oxo-3,4,5,6-tetrahydro-1H-azepino[5,4,3-cd]indol-2-yl)phenyl]-N-methylmethanaminium
Synonym  Source
rucaparib cationChEBI