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CAS 5198-52-7

:

1-{6a,10-dihydroxy-1,2-bis(4-hydroxybutyl)-4-[(tetrahydro-2H-pyran-2-yloxy)imino]-1,2,4,5,6,6a,11b,11c-octahydrobenzo[kl]xanthen-6-yl}-3-(1H-indol-2-ylmethyl)-1-propylurea

Description:
The chemical substance with the name "1-{6a,10-dihydroxy-1,2-bis(4-hydroxybutyl)-4-[(tetrahydro-2H-pyran-2-yloxy)imino]-1,2,4,5,6,6a,11b,11c-octahydrobenzo[kl]xanthen-6-yl}-3-(1H-indol-2-ylmethyl)-1-propylurea" and CAS number "5198-52-7" is a complex organic compound characterized by its intricate molecular structure, which includes multiple functional groups such as hydroxyl, imino, and urea moieties. This compound is likely to exhibit significant biological activity due to its structural features, which may facilitate interactions with biological targets. Its hydrophilic and hydrophobic regions suggest potential solubility in both polar and non-polar solvents, making it versatile for various applications. The presence of indole and xanthene derivatives indicates potential use in pharmaceuticals, particularly in drug design and development. Additionally, the compound's stereochemistry and functional groups may influence its reactivity and stability, which are critical for its performance in biological systems. Overall, this substance represents a unique class of organic compounds with potential implications in medicinal chemistry and related fields.
Formula:C42H56N4O8
InChI:InChI=1/C42H56N4O8/c1-2-18-46(41(50)43-26-29-22-28-12-3-4-14-34(28)44-29)37-25-35(45-54-38-15-7-10-21-52-38)32-23-27(11-5-8-19-47)31(13-6-9-20-48)39-33-24-30(49)16-17-36(33)53-42(37,51)40(32)39/h3-4,12,14,16-17,22-24,27,31,37-40,44,47-49,51H,2,5-11,13,15,18-21,25-26H2,1H3,(H,43,50)
SMILES:CCCN(C1CC(=NOC2CCCCO2)C2=CC(CCCCO)C(CCCCO)C3c4cc(ccc4OC1(C23)O)O)C(=NCc1cc2ccccc2[nH]1)O
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50
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