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CAS 3543-74-6

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[1-Methyl-5-bis(2'-hydroxyethyl)aminobenzimidazolyl-2]butanoic Acid Ethyl Ester

Description:
[1-Methyl-5-bis(2'-hydroxyethyl)aminobenzimidazolyl-2]butanoic Acid Ethyl Ester, identified by CAS number 3543-74-6, is a chemical compound that features a complex structure incorporating a benzimidazole moiety, which is known for its diverse biological activities. This compound typically exhibits characteristics such as being a solid at room temperature, with potential solubility in organic solvents due to its ester functional group. The presence of hydroxyl groups suggests it may engage in hydrogen bonding, influencing its solubility and reactivity. The compound's structure indicates potential applications in pharmaceuticals, particularly in drug design, owing to the benzimidazole's role in various therapeutic agents. Additionally, the ethyl ester group may enhance lipophilicity, affecting its bioavailability and pharmacokinetics. Overall, this compound's unique structural features contribute to its potential utility in medicinal chemistry and related fields. However, specific physical and chemical properties such as melting point, boiling point, and spectral data would require empirical measurement or literature reference for precise characterization.
Formula:C18H27N3O4
InChI:InChI=1/C18H27N3O4/c1-3-25-18(24)6-4-5-17-19-15-13-14(7-8-16(15)20(17)2)21(9-11-22)10-12-23/h7-8,13,22-23H,3-6,9-12H2,1-2H3
SMILES:CCOC(=O)CCCc1nc2cc(ccc2n1C)N(CCO)CCO
Synonyms:
  • 4-{5-[bis-(2-hydroxy-ethyl)-amino]-1-methyl-1H-benzoimidazol-2-yl}-butyric acid ethyl ester
  • 5-[Bis(2-hydroxyethyl)amino]-1-methyl-1H-benzimidazole-2-butanoic acid ethyl ester
  • ethyl 4-{5-[bis(2-hydroxyethyl)amino]-1-methyl-1H-benzimidazol-2-yl}butanoate
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