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CAS 913388-61-1

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1-(1,1-Dimethylethyl) 2-borono-5-[[4-(2-hydroxyethyl)-1-piperazinyl]methyl]-1H-indole-1-carboxylate

Description:
1-(1,1-Dimethylethyl) 2-borono-5-[[4-(2-hydroxyethyl)-1-piperazinyl]methyl]-1H-indole-1-carboxylate, with CAS number 913388-61-1, is a complex organic compound characterized by its indole structure, which is a bicyclic compound consisting of a benzene ring fused to a pyrrole ring. This substance features a boron atom, which is often utilized in medicinal chemistry for its ability to form stable complexes and enhance biological activity. The presence of a piperazine moiety suggests potential pharmacological properties, as piperazine derivatives are commonly found in various therapeutic agents. Additionally, the compound includes a hydroxyethyl group, which may contribute to its solubility and interaction with biological systems. The tert-butyl group (1,1-dimethylethyl) is likely to influence the compound's lipophilicity and steric properties. Overall, this compound may exhibit interesting biological activities, making it a candidate for further research in drug development and medicinal chemistry.
Formula:C20H30BN3O5
InChI:InChI=1S/C20H30BN3O5/c1-20(2,3)29-19(26)24-17-5-4-15(12-16(17)13-18(24)21(27)28)14-23-8-6-22(7-9-23)10-11-25/h4-5,12-13,25,27-28H,6-11,14H2,1-3H3
InChI key:InChIKey=MCXMWVZFHCYQED-UHFFFAOYSA-N
SMILES:C(OC(C)(C)C)(=O)N1C=2C(C=C1B(O)O)=CC(CN3CCN(CCO)CC3)=CC2
Synonyms:
  • 1-(1,1-Dimethylethyl) 2-borono-5-[[4-(2-hydroxyethyl)-1-piperazinyl]methyl]-1H-indole-1-carboxylate
  • 1H-Indole-1-carboxylic acid, 2-borono-5-[[4-(2-hydroxyethyl)-1-piperazinyl]methyl]-, 1-(1,1-dimethylethyl) ester
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