Products 1688656-83-8

CAS 1688656-83-8 appears in our catalog under these names: Deferasirox Impurity 4, Deferasirox Impurity E. Offered by: Chemat Brand, TRC. Available pack sizes: on request, 50mg.

Deferasirox Impurity 4
Chemat Brand
  • size: on request
  • Variants: 1
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Deferasirox Impurity E
TRC
  • size: 50mg
  • Variants: 1
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Structural formula: {0} (CAS {1})

4-[3-[5-[3-[1-(4-carboxyphenyl)-5-(2-hydroxyphenyl)-1,2,4-triazol-3-yl]-4-hydroxyphenyl]sulfanyl-2-hydroxyphenyl]-5-(2-hydroxyphenyl)-1,2,4-triazol-1-yl]benzoic acid (CAS 1688656-83-8) is a chemical compound with the molecular formula C42H28N6O8S and a molecular weight of 776.8 g/mol. IUPAC name: 4-[3-[5-[3-[1-(4-carboxyphenyl)-5-(2-hydroxyphenyl)-1,2,4-triazol-3-yl]-4-hydroxyphenyl]sulfanyl-2-hydroxyphenyl]-5-(2-hydroxyphenyl)-1,2,4-triazol-1-yl]benzoic acid. InChIKey: NWETZLTWYSYMFW-UHFFFAOYSA-N.

Identity
Molecular formulaC42H28N6O8S
Molecular weight776.8 g/mol
IUPAC name4-[3-[5-[3-[1-(4-carboxyphenyl)-5-(2-hydroxyphenyl)-1,2,4-triazol-3-yl]-4-hydroxyphenyl]sulfanyl-2-hydroxyphenyl]-5-(2-hydroxyphenyl)-1,2,4-triazol-1-yl]benzoic acid
InChIKeyNWETZLTWYSYMFW-UHFFFAOYSA-N
SMILESC1=CC=C(C(=C1)C2=NC(=NN2C3=CC=C(C=C3)C(=O)O)C4=C(C=CC(=C4)SC5=CC(=C(C=C5)O)C6=NN(C(=N6)C7=CC=CC=C7O)C8=CC=C(C=C8)C(=O)O)O)O

Computed by PubChem (NCBI)

Synonyms: Deferasirox Impurity E