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Substance Name: 5'-Hydroxydeferasirox
RN: 524746-13-2
UNII: 3SQ2C73QCB
InChIKey: MQRSABJSBPFCLU-UHFFFAOYSA-N

Molecular Formula

  • C21-H15-N3-O5

Molecular Weight

  • 389.3655
 
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Names and Synonyms

Name of Substance

  • 5'-Hydroxydeferasirox

Synonyms

  • 4-(5-(2,5-Dihydroxyphenyl)-3-(2-hydroxyphenyl)-(1,2,4)triazol-1-yl)benzoic acid
  • 5'-Hydroxydeferasirox
  • Benzoic acid, 4-(5-(2,5-dihydroxyphenyl)-3-(2-hydroxyphenyl)-1H-1,2,4-triazol-1-yl)-
  • Deferasirox (m4)
  • UNII-3SQ2C73QCB

Registry Numbers

CAS Registry Number

  • 524746-13-2

FDA UNII

  • 3SQ2C73QCB

System Generated Number

  • 0524746132

Structure Descriptors

InChI

1S/C21H15N3O5/c25-14-9-10-18(27)16(11-14)20-22-19(15-3-1-2-4-17(15)26)23-24(20)13-7-5-12(6-8-13)21(28)29/h1-11,25-27H,(H,28,29)

InChIKey

MQRSABJSBPFCLU-UHFFFAOYSA-N

Smiles

c1ccc(c(c1)c2nc(n(n2)c3ccc(cc3)C(=O)O)c4cc(ccc4O)O)O