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CAS 55769-64-7

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Benzoic acid, 3,4,5-trimethoxy-, 1,2-ethanediylbis[(methylimino)[(2S)-2-ethyl-2,1-ethanediyl]] ester, dihydrochloride

Description:
Benzoic acid, 3,4,5-trimethoxy-, 1,2-ethanediylbis[(methylimino)[(2S)-2-ethyl-2,1-ethanediyl]] ester, dihydrochloride, identified by CAS number 55769-64-7, is a complex organic compound characterized by its structure, which includes a benzoic acid moiety substituted with three methoxy groups and a bis(methylimino) ethylene unit. This compound is typically a white to off-white solid and is soluble in polar solvents due to the presence of the dihydrochloride salt form, which enhances its solubility in water. The methoxy groups contribute to its electron-donating properties, potentially influencing its reactivity and interaction with biological systems. As a derivative of benzoic acid, it may exhibit antimicrobial or preservative properties, although specific biological activities would depend on its precise structure and functional groups. Its synthesis and applications may be of interest in medicinal chemistry, particularly in the development of pharmaceuticals or agrochemicals. Safety data should be consulted for handling and usage, as with any chemical substance.
Formula:C32H48N2O10·2ClH
InChI:InChI=1S/C32H48N2O10.2ClH/c1-11-23(19-43-31(35)21-15-25(37-5)29(41-9)26(16-21)38-6)33(3)13-14-34(4)24(12-2)20-44-32(36)22-17-27(39-7)30(42-10)28(18-22)40-8;;/h15-18,23-24H,11-14,19-20H2,1-10H3;2*1H/t23-,24-;;/m0../s1
InChI key:InChIKey=NNSPSTCLUNWYSE-WLKYSPGFSA-N
SMILES:O(C)C1=C(OC)C=C(C(OC[C@@H](N(CCN([C@H](COC(=O)C2=CC(OC)=C(OC)C(OC)=C2)CC)C)C)CC)=O)C=C1OC.Cl
Synonyms:
  • M 71 (pharmaceutical)
  • Benzoic acid, 3,4,5-trimethoxy-, 1,2-ethanediylbis[(methylimino)(2-ethyl-2,1-ethanediyl)] ester, dihydrochloride, [S-(R*,R*)]-
  • M 71
  • Craviten
  • Benzoic acid, 3,4,5-trimethoxy-, 1,2-ethanediylbis[(methylimino)[(2S)-2-ethyl-2,1-ethanediyl]] ester, dihydrochloride
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