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Chemistry, part 1

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Concept information

organooxygen compound > carbonyl compound > carboxylic acid > monocarboxylic acid > deferasirox
organooxygen compound > carbon oxoacid > carboxylic acid > monocarboxylic acid > deferasirox
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > oxoacid > carbon oxoacid > carboxylic acid > monocarboxylic acid > deferasirox
... > chemical entity > molecular entity > main group molecular entity > s-block molecular entity > hydrogen molecular entity > hydroxides > oxoacid > carbon oxoacid > carboxylic acid > monocarboxylic acid > deferasirox
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic hydroxy compound > phenols > deferasirox
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > organic hydroxy compound > phenols > deferasirox
... > chemical entity > molecular entity > main group molecular entity > s-block molecular entity > hydrogen molecular entity > hydroxides > organic hydroxy compound > phenols > deferasirox
organic aromatic compound > phenols > deferasirox
... > organooxygen compound > carbonyl compound > carboxylic acid > aromatic carboxylic acid > benzoic acids > deferasirox
... > organooxygen compound > carbon oxoacid > carboxylic acid > aromatic carboxylic acid > benzoic acids > deferasirox
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > oxoacid > carbon oxoacid > carboxylic acid > aromatic carboxylic acid > benzoic acids > deferasirox
... > chemical entity > molecular entity > main group molecular entity > s-block molecular entity > hydrogen molecular entity > hydroxides > oxoacid > carbon oxoacid > carboxylic acid > aromatic carboxylic acid > benzoic acids > deferasirox
organic aromatic compound > aromatic carboxylic acid > benzoic acids > deferasirox
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > organonitrogen heterocyclic compound > azole > triazoles > deferasirox
organic heterocyclic compound > organonitrogen heterocyclic compound > azole > triazoles > deferasirox
... > organic aromatic compound > heteroarene > monocyclic heteroarene > azole > triazoles > deferasirox
... > organic heterocyclic compound > heteroarene > monocyclic heteroarene > azole > triazoles > deferasirox

Preferred term

deferasirox  

Type

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

Broader concept

charge

  • 0

formula

  • C21H15N3O4

has_functional_parent

has_role

inchi

  • InChI=1S/C21H15N3O4/c25-17-7-3-1-5-15(17)19-22-20(16-6-2-4-8-18(16)26)24(23-19)14-11-9-13(10-12-14)21(27)28/h1-12,25-26H,(H,27,28)

inchikey

  • BOFQWVMAQOTZIW-UHFFFAOYSA-N

mass

  • 373.36162

monoisotopicmass

  • 373.10626

smiles

  • OC(=O)c1ccc(cc1)-n1nc(nc1-c1ccccc1O)-c1ccccc1O

subset

  • 3_STAR

synonym EXACT

  • 4-[3,5-bis(2-hydroxyphenyl)-1H-1,2,4-triazol-1-yl]benzoic acid

synonym RELATED

  • deferasirox
  • deferasiroxum
  • Exjade
  • ICL 670
  • ICL 670A

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:49005

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