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Chemistry, part 1

Content language

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Concept information

organobromine compound > cgp 78608
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > organonitrogen heterocyclic compound > naphthyridine derivative > quinoxaline derivative > cgp 78608
organic heterocyclic compound > organonitrogen heterocyclic compound > naphthyridine derivative > quinoxaline derivative > cgp 78608
... > organic heterocyclic compound > organic heteropolycyclic compound > organic heterobicyclic compound > naphthyridine derivative > quinoxaline derivative > cgp 78608
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic amino compound > secondary amino compound > cgp 78608
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > organic amino compound > secondary amino compound > cgp 78608
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > phosphorus molecular entity > phosphorus oxoacids and derivatives > phosphonic acids > cgp 78608

Preferred term

cgp 78608  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C11H13BrN3O5P

has_part

has_role

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)/t5-/m0/s1

inchikey

  • DPFHVUSPVHRVFL-YFKPBYRVSA-N

mass

  • 378.11600

monoisotopicmass

  • 376.97762

smiles

  • C[C@@H](NCc1cc(Br)cc2[nH]c(=O)c(=O)[nH]c12)P(O)(O)=O

subset

  • 3_STAR

synonym EXACT

  • [(1S)-1-{[(7-bromo-2,3-dioxo-1,2,3,4-tetrahydroquinoxalin-5-yl)methyl]amino}ethyl]phosphonic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:64061

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