Cinacalcet-Regio isomer (CAS 2074615-22-6) is a structurally distinct regioisomer of the calcimimetic agent cinacalcet, characterized by a tetrahydroisoquinoline scaffold with a fluorinated side chain. The isomer exhibits a unique substitution pattern on the aromatic ring system, featuring a meta-disposition of the trifluoromethyl group relative to the amine functionality, differing from the parent compound's para configuration. This regioisomeric shift alters steric and electronic properties, leading to distinct chromatographic behavior. It serves as a critical HPLC reference standard for impurity profiling in cinacalcet active pharmaceutical ingredient synthesis.
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InChI=1S/C22H22F3N/c1-16(19-12-11-18-8-2-3-9-20(18)15-19)26-13-5-7-17-6-4-10-21(14-17)22(23,24)25/h2-4,6,8-12,14-16,26H,5,7,13H2,1H3/t16-/m1/s1
ILSUSBULBRBBLD-MRXNPFEDSA-N