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CHEBI:64066 - CGP 78608(1+)

ChEBI IDCHEBI:64066
ChEBI NameCGP 78608(1+)
Stars
DefinitionAn organic cation that is the conjugate acid of CGP 78608, arising from protonation of the secondary amino function.
Last Modified1 March 2012
SubmitterSteve
DownloadsMolfile
FormulaC11H14BrN3O5P
Net Charge+1
Average Mass379.127
Monoisotopic Mass377.98490
SMILESC[C@@H]([NH2+]Cc1cc(Br)cc2nc(=O)c(=O)nc12)P(=O)(O)O
InChIInChI=1S/C11H13BrN3O5P/c1-5(21(18,19)20)13-4-6-2-7(12)3-8-9(6)15-11(17)10(16)14-8/h2-3,5,13H,4H2,1H3,(H,14,16)(H,15,17)(H2,18,19,20)/p+1/t5-/m0/s1
InChIKeyDPFHVUSPVHRVFL-YFKPBYRVSA-O
ChEBI Ontology
Outgoing Relation(s)
CGP 78608(1+) (CHEBI:64066) is a ammonium ion derivative (CHEBI:35274)
CGP 78608(1+) (CHEBI:64066) is a organic cation (CHEBI:25697)
CGP 78608(1+) (CHEBI:64066) is conjugate acid of CGP 78608 hydrochloride (CHEBI:64065)
Incoming Relation(s)
CGP 78608 (CHEBI:64061) has part CGP 78608(1+) (CHEBI:64066)
CGP 78608 hydrochloride (CHEBI:64065) is conjugate base of CGP 78608(1+) (CHEBI:64066)
Synonym  Source
CGP 78608 cationChEBI