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CAS 1335220-62-6

:

rel-4-[[(2R,6S)-2,6-Dimethyl-4-morpholinyl]methyl]benzoic acid

Description:
Rel-4-[[(2R,6S)-2,6-Dimethyl-4-morpholinyl]methyl]benzoic acid, with the CAS number 1335220-62-6, is a chemical compound characterized by its specific stereochemistry and functional groups. It features a benzoic acid moiety, which contributes to its acidity and potential interactions in biological systems. The presence of a morpholine ring indicates that it may exhibit unique properties related to its nitrogen-containing structure, potentially influencing its solubility and reactivity. The dimethyl substitution on the morpholine ring suggests steric hindrance, which can affect the compound's conformation and interactions with other molecules. This compound may be of interest in pharmaceutical applications due to its structural features, which could enhance its binding affinity to biological targets. Additionally, the stereochemical configuration (2R,6S) is crucial for determining the compound's biological activity and pharmacokinetics. Overall, this compound's characteristics make it a subject of interest in medicinal chemistry and drug design.
Formula:C14H19NO3
InChI:InChI=1/C14H19NO3/c1-10-7-15(8-11(2)18-10)9-12-3-5-13(6-4-12)14(16)17/h3-6,10-11H,7-9H2,1-2H3,(H,16,17)/t10-,11+
InChI key:InChIKey=PDXOUFOUVXIPDL-PHIMTYICNA-N
SMILES:C(N1C[C@@H](C)O[C@@H](C)C1)C2=CC=C(C(O)=O)C=C2
Synonyms:
  • rel-4-[[(2R,6S)-2,6-Dimethyl-4-morpholinyl]methyl]benzoic acid
  • Benzoic acid, 4-[[(2R,6S)-2,6-dimethyl-4-morpholinyl]methyl]-, rel-
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