4-[3,5-Bis(2-hydroxyphenyl)-1H-1,2,4-triazol-1-yl]-1-methylethyl ester benzoic acid

CAS: 1266741-29-0

Ref. TR-B536550

Produktinformation

• Name: 4-[3,5-Bis(2-hydroxyphenyl)-1H-1,2,4-triazol-1-yl]-1-methylethyl ester benzoic acid
• Synonyme: 1-Methylethyl 4-[3,5-bis(2-hydroxyphenyl)-1H-1,2,4-triazol-1-yl]benzoate (ACI), Benzoic acid, 4-[3,5-bis(2-hydroxyphenyl)-1H-1,2,4-triazol-1-yl]-, 1-methylethyl ester (ACI)
• Marke: TRC

Beschreibung

Applications 4-[3,5-Bis(2-hydroxyphenyl)-1H-1,2,4-triazol-1-yl]-1-methylethyl ester benzoic acid is an impurity of Deferasirox (D228650), an orally active tridentate iron chelator.
References Hershko, C., et al.: Blood, 97, 1115 (2001), Galanello, R., et al.: J. Clin. Pharmacol., 43, 565 (2003), Nick, H., et al.: Curr. Med. Chem., 10, 1065 (2003),

Chemische Eigenschaften

• Molekulargewicht: 415.441
• Formel: C₂₄H₂₁N₃O₄
• Farbe/Form: Neat
• InChl: InChI=1S/C24H21N3O4/c1-15(2)31-24(30)16-11-13-17(14-12-16)27-23(19-8-4-6-10-21(19)29)25-22(26-27)18-7-3-5-9-20(18)28/h3-15,28-29H,1-2H3
• InChI Key: InChIKey=VMMWFVQHXQVDKR-UHFFFAOYSA-N
• SMILES: CC(C)OC(=O)c1ccc(-n2nc(-c3ccccc3O)nc2-c2ccccc2O)cc1