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CAS 1305320-63-1

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Benzoic acid, 4-[4-[[2-(4-chlorophenyl)-5,5-dimethyl-1-cyclohexen-1-yl]methyl]-1-piperazinyl]-, hydrochloride (1:1)

Description:
Benzoic acid, 4-[4-[[2-(4-chlorophenyl)-5,5-dimethyl-1-cyclohexen-1-yl]methyl]-1-piperazinyl]-, hydrochloride (1:1) is a complex organic compound characterized by its structural components, which include a benzoic acid moiety and a piperazine derivative. The presence of a 4-chlorophenyl group and a cyclohexene structure contributes to its unique chemical properties. This compound is typically encountered as a hydrochloride salt, which enhances its solubility in water and may influence its pharmacological activity. The piperazine ring is known for its role in various biological activities, often serving as a scaffold in drug design. The compound may exhibit potential therapeutic effects, particularly in the context of central nervous system activity, due to the piperazine and cyclohexene components. Its synthesis and characterization would involve standard organic chemistry techniques, and it may be of interest in medicinal chemistry research. Safety and handling precautions should be observed, as with any chemical substance, particularly those with potential biological activity.
Formula:C26H31ClN2O2·ClH
InChI:InChI=1S/C26H31ClN2O2.ClH/c1-26(2)12-11-24(19-3-7-22(27)8-4-19)21(17-26)18-28-13-15-29(16-14-28)23-9-5-20(6-10-23)25(30)31;/h3-10H,11-18H2,1-2H3,(H,30,31);1H
InChI key:InChIKey=KKJDHOMITBURAP-UHFFFAOYSA-N
SMILES:C(C1=C(CCC(C)(C)C1)C2=CC=C(Cl)C=C2)N3CCN(CC3)C4=CC=C(C(O)=O)C=C4.Cl
Synonyms:
  • Benzoic acid, 4-[4-[[2-(4-chlorophenyl)-5,5-dimethyl-1-cyclohexen-1-yl]methyl]-1-piperazinyl]-, hydrochloride (1:1)
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