CAS: 1133425-79-2 - 4-[5-(2-Hydroxyphenyl)-3-(6-hydroxyphenyl-2,3,4,5-d4)-1H-1,2,4-triazol-1-yl]benzoic acid

Formula: C₂₁H₁₁D₄N₃O₄

InChI: InChI=1S/C21H15N3O4/c25-17-7-3-1-5-15(17)19-22-20(16-6-2-4-8-18(16)26)24(23-19)14-11-9-13(10-12-14)21(27)28/h1-12,25-26H,(H,27,28)/i1D,3D,5D,7D

InChI key: InChIKey=BOFQWVMAQOTZIW-DNZPNURCSA-N

SMILES: O=C(O)C1=CC=C(C=C1)N2N=C(N=C2C=3C=CC=CC3O)C=4C=CC=CC4O

Synonyms:

• Benzoic acid, 4-[5-(2-hydroxyphenyl)-3-(6-hydroxyphenyl-2,3,4,5-d4)-1H-1,2,4-triazol-1-yl]-
• 4-[5-(2-Hydroxyphenyl)-3-(6-hydroxyphenyl-2,3,4,5-d4)-1H-1,2,4-triazol-1-yl]benzoic acid

Deferasirox-d4 (major)(Mixture of 6-hydroxyphenyl-d4 isomers)

CAS: 1133425-77-0 1133425-79-2201530-41-8

Applications Labelled orally active tridentate iron chelator. References Hershko, C., et al.: Blood, 97, 1115 …

• Formula: C₂₁D₄H₁₁N₃O₄
• Color and Shape: Neat
• Molecular weight: 754.772