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CAS 1818294-35-7

:

2,5-Dioxo-1-pyrrolidinyl 23-[(3′,6′-dihydroxy-3-oxospiro[isobenzofuran-1(3H),9′-[9H]xanthen]-5-yl)amino]-23-thioxo-4,7,10,13,16,19-hexaoxa-22-azatricosanoate

Description:
2,5-Dioxo-1-pyrrolidinyl 23-[(3′,6′-dihydroxy-3-oxospiro[isobenzofuran-1(3H),9′-[9H]xanthen]-5-yl)amino]-23-thioxo-4,7,10,13,16,19-hexaoxa-22-azatricosanoate is a complex organic compound characterized by its intricate molecular structure, which includes multiple functional groups such as dioxo, thioxo, and various ether linkages. This compound features a pyrrolidine ring, which contributes to its cyclic structure, and a spiro compound that indicates a unique connectivity between two ring systems. The presence of hydroxyl groups suggests potential for hydrogen bonding, which may influence its solubility and reactivity. The azatricosanoate moiety indicates a long carbon chain, which may affect its lipophilicity and biological activity. Given its complexity, this substance may exhibit interesting pharmacological properties, potentially serving as a lead compound in drug development. However, detailed studies would be necessary to fully understand its behavior, stability, and potential applications in medicinal chemistry or materials science.
Formula:C40H45N3O15S
InChI:InChI=1S/C40H45N3O15S/c44-27-2-5-31-33(24-27)56-34-25-28(45)3-6-32(34)40(31)30-4-1-26(23-29(30)38(49)57-40)42-39(59)41-10-12-51-14-16-53-18-20-55-22-21-54-19-17-52-15-13-50-11-9-37(48)58-43-35(46)7-8-36(43)47/h1-6,23-25,44-45H,7-22H2,(H2,41,42,59)
InChI key:InChIKey=JRSZEPYWIPLVEA-UHFFFAOYSA-N
SMILES:O=C1OC2(C=3C1=CC(NC(NCCOCCOCCOCCOCCOCCOCCC(ON4C(=O)CCC4=O)=O)=S)=CC3)C=5C(OC=6C2=CC=C(O)C6)=CC(O)=CC5
Synonyms:
  • 2,5-Dioxo-1-pyrrolidinyl 23-[(3′,6′-dihydroxy-3-oxospiro[isobenzofuran-1(3H),9′-[9H]xanthen]-5-yl)amino]-23-thioxo-4,7,10,13,16,19-hexaoxa-22-azatricosanoate
  • 4,7,10,13,16,19-Hexaoxa-22-azatricosanoic acid, 23-[(3′,6′-dihydroxy-3-oxospiro[isobenzofuran-1(3H),9′-[9H]xanthen]-5-yl)amino]-23-thioxo-, 2,5-dioxo-1-pyrrolidinyl ester
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