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Chemistry, part 2

Content language

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > alkaloid > purine alkaloid > methylxanthine > dimethylxanthine > theophylline
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > organonitrogen heterocyclic compound > imidazopyrimidine > purines > purine alkaloid > methylxanthine > dimethylxanthine > theophylline
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > organonitrogen heterocyclic compound > imidazopyrimidine > purines > purine alkaloid > methylxanthine > dimethylxanthine > theophylline
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > organic heterocyclic compound > organonitrogen heterocyclic compound > imidazopyrimidine > purines > purine alkaloid > methylxanthine > dimethylxanthine > theophylline
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > organonitrogen heterocyclic compound > imidazopyrimidine > purines > purine alkaloid > methylxanthine > dimethylxanthine > theophylline
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > organic heteropolycyclic compound > organic heterobicyclic compound > imidazopyrimidine > purines > purine alkaloid > methylxanthine > dimethylxanthine > theophylline
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > organic heterocyclic compound > organic heteropolycyclic compound > organic heterobicyclic compound > imidazopyrimidine > purines > purine alkaloid > methylxanthine > dimethylxanthine > theophylline
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > organic heteropolycyclic compound > organic heterobicyclic compound > imidazopyrimidine > purines > purine alkaloid > methylxanthine > dimethylxanthine > theophylline
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic aromatic compound > heteroarene > imidazopyrimidine > purines > purine alkaloid > methylxanthine > dimethylxanthine > theophylline
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > organic aromatic compound > heteroarene > imidazopyrimidine > purines > purine alkaloid > methylxanthine > dimethylxanthine > theophylline
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic aromatic compound > heteroarene > imidazopyrimidine > purines > purine alkaloid > methylxanthine > dimethylxanthine > theophylline
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > heteroarene > imidazopyrimidine > purines > purine alkaloid > methylxanthine > dimethylxanthine > theophylline
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > organic heterocyclic compound > heteroarene > imidazopyrimidine > purines > purine alkaloid > methylxanthine > dimethylxanthine > theophylline
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > heteroarene > imidazopyrimidine > purines > purine alkaloid > methylxanthine > dimethylxanthine > theophylline

Preferred term

theophylline  

Type

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

Broader concept

alt_id

  • CHEBI:26940
  • CHEBI:45950
  • CHEBI:9523

charge

  • 0

formula

  • C7H8N4O2

has_role

inchi

  • InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9)

inchikey

  • ZFXYFBGIUFBOJW-UHFFFAOYSA-N

mass

  • 180.16418

monoisotopicmass

  • 180.06473

smiles

  • Cn1c2nc[nH]c2c(=O)n(C)c1=O

subset

  • 3_STAR

synonym EXACT

  • 1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
  • theophylline
  • THEOPHYLLINE
  • Theophylline

synonym RELATED

  • 1,3-dimethyl-7H-purine-2,6-dione
  • 1,3-Dimethylxanthine
  • Elixophyllin
  • Respbid
  • Theo-Dur
  • Theolair
  • Theophyllin
  • theophylline anhydrous
  • Uniphyl

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:28177

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