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Substance Name: Deferasirox 2-glucuronide
RN: 1233196-92-3
UNII: D50PQ1R10Q
InChIKey: VZBGWWQXUJQLAJ-BMODKXSASA-N

Molecular Formula

  • C27-H23-N3-O10

Molecular Weight

  • 549.4897
 
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Names and Synonyms

Name of Substance

  • Deferasirox 2-glucuronide

Synonyms

  • beta-D-Glucopyranosiduronic acid, 2-(1-(4-carboxyphenyl)-5-(2-hydroxyphenyl)-1H-1,2,4-triazol-3-yl)phenyl
  • Deferasirox (m6)
  • Deferasirox 2-glucuronide
  • UNII-D50PQ1R10Q

Registry Numbers

CAS Registry Number

  • 1233196-92-3

FDA UNII

  • D50PQ1R10Q

System Generated Number

  • 1233196923

Structure Descriptors

InChI

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

InChIKey

VZBGWWQXUJQLAJ-BMODKXSASA-N

Smiles

c1ccc(c(c1)c2nc(nn2c3ccc(cc3)C(=O)O)c4ccccc4O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O)O