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Substance Name: Deferasirox acyl-beta-D-glucuronide
RN: 1233196-91-2
UNII: 904IZ54WYX
InChIKey: YSCGZJLIVXVFPM-AWZWVWSRSA-N

Molecular Formula

  • C27-H23-N3-O10

Molecular Weight

  • 549.4897
 
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Names and Synonyms

Name of Substance

  • Deferasirox acyl-beta-D-glucuronide

Synonyms

  • beta-D-Glucopyranuronic acid, 1-(4-(3,5-bis(2-hydroxyphenyl)-1H-1,2,4-triazol-1-yl)benzoate)
  • Deferasirox (m3)
  • Deferasirox acyl-beta-D-glucuronide
  • UNII-904IZ54WYX

Registry Numbers

CAS Registry Number

  • 1233196-91-2

FDA UNII

  • 904IZ54WYX

System Generated Number

  • 1233196912

Structure Descriptors

InChI

1S/C27H23N3O10/c31-17-7-3-1-5-15(17)23-28-24(16-6-2-4-8-18(16)32)30(29-23)14-11-9-13(10-12-14)26(38)40-27-21(35)19(33)20(34)22(39-27)25(36)37/h1-12,19-22,27,31-35H,(H,36,37)/t19-,20-,21+,22-,27-/m0/s1

InChIKey

YSCGZJLIVXVFPM-AWZWVWSRSA-N

Smiles

c1ccc(c(c1)c2nc(n(n2)c3ccc(cc3)C(=O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)c5ccccc5O)O