Deferasirox Acyl-β-D-glucuronide

Deferasirox Acyl-β-D-glucuronide

• Synonyms: Deferasirox Acyl-beta-D-glucuronide; β-D-Glucopyranuronic acid, 1-[4-[3,5-bis(2-hydroxyphenyl)-1H-1,2,4-triazol-1-yl]benzoate]
• CAS Number: 1233196-91-2
• Hazard Statement: Causes skin irritation.
• Smiles: O[C@H]1[C@H](OC(=O)c2ccc(cc2)n3nc(nc3c4ccccc4O)c5ccccc5O)O[C@@H]([C@@H](O)[C@@H]1O)C(=O)O
• Molecular Formula: C27 H23 N3 O10
• Molecular Weight: 549.486
• InChI: 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
• Additionnal Information: IUPAC name: (2S,3S,4S,5R,6S)-6-[4-[3,5-bis(2-hydroxyphenyl)-1,2,4-triazol-1-yl]benzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid