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CAS 115625-86-0

:

2-[[2-[[3-[[[3-(Dodecyloxy)propyl]amino]carbonyl]-4-hydroxy-8-[[(2-methylpropoxy)carbonyl]amino]-1-naphthalenyl]oxy]ethyl]thio]acetic acid

Description:
The chemical substance known as 2-[[2-[[3-[[[3-(Dodecyloxy)propyl]amino]carbonyl]-4-hydroxy-8-[[(2-methylpropoxy)carbonyl]amino]-1-naphthalenyl]oxy]ethyl]thio]acetic acid, with the CAS number 115625-86-0, is a complex organic compound characterized by its multi-functional structure. It features a naphthalene core, which is a polycyclic aromatic hydrocarbon, and is substituted with various functional groups including amines, carboxylic acids, and ether linkages. The presence of a long aliphatic dodecyloxy chain suggests that it may exhibit surfactant properties, potentially enhancing its solubility in organic solvents while maintaining some hydrophilic characteristics due to the carboxylic acid and hydroxyl groups. This compound may be of interest in pharmaceutical applications, particularly in drug delivery systems, due to its amphiphilic nature. Additionally, its structural complexity indicates potential for specific interactions with biological targets, making it a candidate for further research in medicinal chemistry.
Formula:C35H54N2O8S
InChI:InChI=1S/C35H54N2O8S/c1-4-5-6-7-8-9-10-11-12-13-19-43-20-15-18-36-34(41)28-23-30(44-21-22-46-25-31(38)39)32-27(33(28)40)16-14-17-29(32)37-35(42)45-24-26(2)3/h14,16-17,23,26,40H,4-13,15,18-22,24-25H2,1-3H3,(H,36,41)(H,37,42)(H,38,39)
InChI key:InChIKey=URVQMQKAWUMVRA-UHFFFAOYSA-N
SMILES:O(CCSCC(O)=O)C=1C2=C(C(O)=C(C(NCCCOCCCCCCCCCCCC)=O)C1)C=CC=C2NC(OCC(C)C)=O
Synonyms:
  • Acetic acid, [[2-[[3-[[[3-(dodecyloxy)propyl]amino]carbonyl]-4-hydroxy-8-[[(2-methylpropoxy)carbonyl]amino]-1-naphthalenyl]oxy]ethyl]thio]-
  • Acetic acid, 2-[[2-[[3-[[[3-(dodecyloxy)propyl]amino]carbonyl]-4-hydroxy-8-[[(2-methylpropoxy)carbonyl]amino]-1-naphthalenyl]oxy]ethyl]thio]-
  • 2-[[2-[[3-[[[3-(Dodecyloxy)propyl]amino]carbonyl]-4-hydroxy-8-[[(2-methylpropoxy)carbonyl]amino]-1-naphthalenyl]oxy]ethyl]thio]acetic acid
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