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Chemistry, part 1

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Concept information

... > chemical entity > molecular entity > ion > anion > organic anion > organic nitrogen anion > 8-chlorotheophylline(1-)
... > chemical entity > molecular entity > ion > organic ion > organic anion > organic nitrogen anion > 8-chlorotheophylline(1-)
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic ion > organic anion > organic nitrogen anion > 8-chlorotheophylline(1-)
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > organic nitrogen anion > 8-chlorotheophylline(1-)

Preferred term

8-chlorotheophylline(1-)  

Type

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

Broader concept

charge

  • -1

formula

  • C7H6ClN4O2

inchi

  • InChI=1S/C7H7ClN4O2/c1-11-4-3(9-6(8)10-4)5(13)12(2)7(11)14/h1-2H3,(H,9,10,13)/p-1

inchikey

  • NBLOJVMYLSLJSB-UHFFFAOYSA-M

is_conjugate_base_of

mass

  • 213.60100

monoisotopicmass

  • 213.01848

smiles

  • Cn1c2nc(Cl)[n-]c2c(=O)n(C)c1=O

subset

  • 3_STAR

synonym EXACT

  • 8-chloro-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydropurin-7-ide

synonym RELATED

  • 1,3-dimethyl-8-chloroxanthine(1-)
  • 1,3-dimethyl-8-chloroxanthine anion
  • 8-chlorotheophylline anion

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:59778

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