Deferasirox Impurity 15
Impurity
This molecule is a impurity of Deferasirox.
Technical Data
Cat. No.ANTPRD8963
CAS—
Mol. FormulaC42H28N6O9S
Mol. Weight792.786 g/mol
IUPAC—
SMILESO=C(O)c1ccc(-n2nc(-c3cc(S(=O)c4ccc(O)c(-c5nc(-c6ccccc6O)nn5-c5ccc(C(=O)O)cc5)c4)ccc3O)nc2-c2ccccc2O)cc1
InChIInChI=1S/C42H28N6O9S/c49-33-7-3-1-5-29(33)37-43-40(48(45-37)26-15-11-24(12-16-26)42(55)56)32-22-28(18-20-36(32)52)58(57)27-17-19-35(51)31(21-27)38-44-39(30-6-2-4-8-34(30)50)47(46-38)25-13-9-23(10-14-25)41(53)54/h1-22,49-52H,(H,53,54)(H,55,56)
InChI KeyMJYAEAXTCANDGX-UHFFFAOYSA-N
Description
Overview
Deferasirox Impurity 15, Deferasirox
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Synonyms
4-(3-(5-((3-(1-(4-Carboxyphenyl)-3-(2-hydroxyphenyl)-1H-1,2,4-triazol-5-yl)-4-hydroxyphenyl)sulfinyl)-2-hydroxyphenyl)-5-(2-hydroxyphenyl)-1H-1,2,4-triazol-1-yl)benzoic acid

