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CAS 128311-08-0

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Benzamide, N-1-azabicyclo[2.2.2]oct-3-yl-4-chloro-, monohydrochloride, (S)-

Description:
Benzamide, N-1-azabicyclo[2.2.2]oct-3-yl-4-chloro-, monohydrochloride, (S)- is a chemical compound characterized by its unique bicyclic structure and the presence of a benzamide functional group. The compound features a chiral center, which contributes to its stereochemistry, specifically the (S)- configuration. The bicyclic structure, derived from azabicyclo[2.2.2]octane, imparts rigidity and influences its biological activity. The presence of a chlorine atom at the para position of the benzamide enhances its reactivity and potential interactions with biological targets. As a hydrochloride salt, it is typically more soluble in water compared to its free base form, which can facilitate its use in pharmaceutical applications. This compound may exhibit specific pharmacological properties, making it of interest in medicinal chemistry, particularly in the development of drugs targeting various biological pathways. Its characteristics, including solubility, stability, and reactivity, are essential for understanding its potential applications in research and therapeutics.
Formula:C14H17ClN2O·ClH
InChI:InChI=1S/C14H17ClN2O.ClH/c15-12-3-1-11(2-4-12)14(18)16-13-9-17-7-5-10(13)6-8-17;/h1-4,10,13H,5-9H2,(H,16,18);1H/t13-;/m1./s1
InChI key:InChIKey=HSEQUIRZHDYOIX-BTQNPOSSSA-N
SMILES:N(C(=O)C1=CC=C(Cl)C=C1)[C@H]2C3(CCN(C2)CC3)[H].Cl
Synonyms:
  • Benzamide, N-1-azabicyclo[2.2.2]oct-3-yl-4-chloro-, monohydrochloride, (S)-
  • PNU-282987 S enantiomer hydrochloride
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