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CAS 32891-29-5

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2-Thiopheneacetic acid, α-hydroxy-α-2-thienyl-, (1R,3R,5R)-6,6,9-trimethyl-9-azabicyclo[3.3.1]non-3-yl ester, hydrochloride (1:1)

Description:
2-Thiopheneacetic acid, α-hydroxy-α-2-thienyl-, (1R,3R,5R)-6,6,9-trimethyl-9-azabicyclo[3.3.1]non-3-yl ester, hydrochloride (1:1), with CAS number 32891-29-5, is a chemical compound characterized by its complex bicyclic structure and the presence of both thiophene and azabicyclo moieties. This compound features a thiophene ring, which contributes to its aromatic properties and potential reactivity. The hydrochloride form indicates that it is a salt, enhancing its solubility in polar solvents, which is often beneficial for biological activity. The stereochemistry denoted by (1R,3R,5R) suggests specific spatial arrangements of its substituents, which can significantly influence its pharmacological properties. The presence of the α-hydroxy group may impart additional reactivity and potential for hydrogen bonding, affecting its interactions in biological systems. Overall, this compound's unique structural features may contribute to its utility in medicinal chemistry, particularly in the development of pharmaceuticals targeting specific biological pathways.
Formula:C21H27NO3S2·ClH
InChI:InChI=1/C21H27NO3S2.ClH/c1-20(2)9-8-14-12-15(13-16(20)22(14)3)25-19(23)21(24,17-6-4-10-26-17)18-7-5-11-27-18;/h4-7,10-11,14-16,24H,8-9,12-13H2,1-3H3;1H/t14-,15-,16-;/s2
InChI key:InChIKey=KOYYWMFYAIFCBI-NWBQHVOYNA-N
SMILES:C(C(O[C@H]1C[C@]2(N(C)[C@@](C1)(CCC2(C)C)[H])[H])=O)(O)(C3=CC=CS3)C4=CC=CS4.Cl
Synonyms:
  • 9-Azabicyclo[3.3.1]nonane, 2-thiopheneacetic acid deriv.
  • 2-Thiopheneacetic acid, α-hydroxy-α-2-thienyl-, 6,6,9-trimethyl-9-azabicyclo[3.3.1]non-3-yl ester, hydrochloride, exo-
  • Glycolic acid, di-2-thienyl-, 6,6,9-trimethyl-9-azabicyclo[3.3.1]non-3-yl ester hydrochloride, exo-
  • 2-Thiopheneacetic acid, α-hydroxy-α-2-thienyl-, (1R,3R,5R)-6,6,9-trimethyl-9-azabicyclo[3.3.1]non-3-yl ester, hydrochloride, rel-
  • 2-Thiopheneacetic acid, α-hydroxy-α-2-thienyl-, (1R,3R,5R)-6,6,9-trimethyl-9-azabicyclo[3.3.1]non-3-yl ester, hydrochloride (1:1)
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