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CAS 1059630-08-8

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Ethyl (4aS,9bR)-6-bromo-1,3,4,4a,5,9b-hexahydro-2H-pyrido[4,3-b]indole-2-carboxylate

Description:
Ethyl (4aS,9bR)-6-bromo-1,3,4,4a,5,9b-hexahydro-2H-pyrido[4,3-b]indole-2-carboxylate is a complex organic compound characterized by its unique bicyclic structure, which includes a pyridoindole framework. The presence of a bromine atom at the 6-position contributes to its reactivity and potential biological activity. The compound features an ethyl ester functional group, which can influence its solubility and pharmacokinetic properties. The stereochemistry indicated by the (4aS,9bR) notation suggests specific spatial arrangements of atoms, which can significantly affect the compound's interactions with biological targets. This substance may exhibit properties relevant to medicinal chemistry, particularly in the development of pharmaceuticals, due to its structural motifs that are often associated with bioactive compounds. Its CAS number, 1059630-08-8, allows for precise identification in chemical databases, facilitating research and application in various fields, including drug discovery and development.
Formula:C14H17BrN2O2
InChI:InChI=1S/C14H17BrN2O2/c1-2-19-14(18)17-7-6-12-10(8-17)9-4-3-5-11(15)13(9)16-12/h3-5,10,12,16H,2,6-8H2,1H3/t10-,12-/m0/s1
InChI key:InChIKey=YKRFDXKYULKKPS-JQWIXIFHSA-N
SMILES:C(OCC)(=O)N1C[C@]2(C=3C(N[C@]2(CC1)[H])=C(Br)C=CC3)[H]
Synonyms:
  • 2H-Pyrido[4,3-b]indole-2-carboxylic acid, 6-bromo-1,3,4,4a,5,9b-hexahydro-, ethyl ester, (4aS,9bR)-
  • Ethyl (4aS,9bR)-6-bromo-1,3,4,4a,5,9b-hexahydro-2H-pyrido[4,3-b]indole-2-carboxylate
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