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CAS 445441-27-0

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Benzenesulfonic acid, 2,6-difluoro-, 1-methyl-3-(1-methyl-4-piperidinyl)-1H-indol-5-yl ester, ethanedioate (1:1)

Description:
Benzenesulfonic acid, 2,6-difluoro-, 1-methyl-3-(1-methyl-4-piperidinyl)-1H-indol-5-yl ester, ethanedioate (1:1), with CAS number 445441-27-0, is a complex organic compound characterized by its unique structural features. It contains a benzenesulfonic acid moiety, which contributes to its acidic properties and potential for forming salts or esters. The presence of difluoro substituents on the benzene ring enhances its lipophilicity and may influence its biological activity. The indole structure, combined with the piperidine group, suggests potential pharmacological applications, particularly in medicinal chemistry, where such compounds are often explored for their therapeutic effects. The ethanedioate component indicates that the compound may exist as a salt or a complex, which can affect its solubility and stability. Overall, this compound's characteristics, including its molecular structure and functional groups, suggest it may have significant applications in pharmaceuticals or agrochemicals, although specific biological or chemical properties would require further investigation through empirical studies.
Formula:C23H24F2N2O7S
InChI:InChI=1S/C21H22F2N2O3S.C2H2O4/c1-24-10-8-14(9-11-24)17-13-25(2)20-7-6-15(12-16(17)20)28-29(26,27)21-18(22)4-3-5-19(21)23;3-1(4)2(5)6/h3-7,12-14H,8-11H2,1-2H3;(H,3,4)(H,5,6)
InChI key:InChIKey=XQGFYENETWVJEU-UHFFFAOYSA-N
SMILES:CN1C=2C(C(=C1)C3CCN(C)CC3)=CC(OS(=O)(=O)C4=C(F)C=CC=C4F)=CC2.C(C(O)=O)(O)=O
Synonyms:
  • Benzenesulfonic acid, 2,6-difluoro-, 1-methyl-3-(1-methyl-4-piperidinyl)-1H-indol-5-yl ester, ethanedioate (1:1)
  • SGS 518 oxalate
  • LY 483518
  • 1-Methyl-3-(1-methyl-4-piperindin-4-yl)-5-hydroxy-1H-indole2,6-difluorobenzenesulfonicacidesteroxalate
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