CHEBI:64066 - CGP 78608(1+)

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ChEBI Name CGP 78608(1+)
ChEBI ID CHEBI:64066
Definition An organic cation that is the conjugate acid of CGP 78608, arising from protonation of the secondary amino function.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C11H14BrN3O5P
Net Charge +1
Average Mass 379.12400
Monoisotopic Mass 377.98490
InChI InChI=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
InChIKey DPFHVUSPVHRVFL-YFKPBYRVSA-O
SMILES C[C@@H]([NH2+]Cc1cc(Br)cc2[nH]c(=O)c(=O)[nH]c12)P(O)(O)=O
ChEBI Ontology
Outgoing 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 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 cation ChEBI
Last Modified
01 March 2012