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CAS 1958100-97-4

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2,6-Diazaspiro[3.4]octan-7-one, 4-methylbenzenesulfonate (1:1)

Description:
2,6-Diazaspiro[3.4]octan-7-one, 4-methylbenzenesulfonate (1:1) is a chemical compound characterized by its spirocyclic structure, which includes a diazabicyclic framework. The presence of the diaza group indicates that the compound contains two nitrogen atoms within its ring system, contributing to its potential biological activity and interaction with various receptors. The sulfonate group, derived from 4-methylbenzenesulfonic acid, enhances the compound's solubility in polar solvents and may influence its pharmacokinetic properties. This compound is likely to exhibit interesting properties such as moderate to high stability under standard conditions, and it may participate in various chemical reactions due to the presence of functional groups. Its unique structure suggests potential applications in medicinal chemistry, particularly in the development of pharmaceuticals targeting neurological or psychiatric disorders. However, specific data regarding its toxicity, reactivity, and detailed biological activity would require further investigation through experimental studies.
Formula:C7H8O3S·C6H10N2O
InChI:InChI=1S/C7H8O3S.C6H10N2O/c1-6-2-4-7(5-3-6)11(8,9)10;9-5-1-6(4-8-5)2-7-3-6/h2-5H,1H3,(H,8,9,10);7H,1-4H2,(H,8,9)
InChI key:InChIKey=UPALRTYMDUQVSC-UHFFFAOYSA-N
SMILES:O=C1CC2(CN1)CNC2.S(=O)(=O)(O)C1=CC=C(C)C=C1
Synonyms:
  • 2,6-Diazaspiro[3.4]octan-7-one, 4-methylbenzenesulfonate (1:1)
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