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CAS 126594-73-8

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2,5-Ethano-2H-azocino[4,3-b]indole-6-carboxylicacid, 4-ethylidene-1,3,4,5,6,7-hexahydro-6-(hydroxymethyl)-, methyl ester,2-oxide, [5S-(4E,5a,6b)]- (9CI)

Description:
2,5-Ethano-2H-azocino[4,3-b]indole-6-carboxylic acid, 4-ethylidene-1,3,4,5,6,7-hexahydro-6-(hydroxymethyl)-, methyl ester, 2-oxide, [5S-(4E,5a,6b)]- (9CI), with CAS number 126594-73-8, is a complex organic compound characterized by its unique azocino structure, which incorporates both indole and carboxylic acid functionalities. This compound features multiple stereocenters, contributing to its potential chiral properties. The presence of a hydroxymethyl group and an ethylidene moiety suggests it may exhibit interesting reactivity and solubility characteristics. As a methyl ester, it is likely to be more lipophilic, which can influence its biological activity and interaction with other molecules. The compound's structural complexity may also indicate potential applications in medicinal chemistry, particularly in the development of pharmaceuticals or agrochemicals. However, specific properties such as melting point, boiling point, solubility, and spectral data would require empirical investigation for a comprehensive understanding of its behavior in various environments.
Formula:C20H24N2O4
InChI:InChI=1S/C20H24N2O4/c1-3-13-10-22(25)9-8-16(13)20(12-23,19(24)26-2)18-15(11-22)14-6-4-5-7-17(14)21-18/h3-7,16,21,23H,8-12H2,1-2H3
InChI key:InChIKey=CWLUMLLPZBYHMO-UHFFFAOYSA-N
SMILES:C(OC)(=O)C1(CO)C2=C(C=3C(N2)=CC=CC3)CN4(=O)CC(=CC)C1CC4
Synonyms:
  • 2,5-Ethano-2H-azocino[4,3-b]indole-6-carboxylic acid, 4-ethylidene-1,3,4,5,6,7-hexahydro-6-(hydroxymethyl)-, methyl ester, 2-oxide, [5S-(4E,5α,6β)]-
  • Vallesamine N<sub>b</sub>-oxide
  • VallesamineNb-oxide
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