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CAS 312623-76-0

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(3S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid 4-methylbenzenesulfonate

Description:
(3S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid 4-methylbenzenesulfonate is a complex organic compound characterized by its tetrahydroisoquinoline structure, which is a bicyclic framework commonly found in various natural products and pharmaceuticals. The presence of methoxy groups at the 6 and 7 positions enhances its solubility and may influence its biological activity. The carboxylic acid functional group contributes to its acidity and potential for forming salts or esters, while the 4-methylbenzenesulfonate moiety serves as a counterion, improving the compound's stability and solubility in aqueous solutions. This compound may exhibit interesting pharmacological properties, making it a subject of interest in medicinal chemistry. Its stereochemistry, indicated by the (3S) configuration, suggests specific spatial arrangements that can significantly affect its interaction with biological targets. Overall, this compound's unique structural features and functional groups position it as a potentially valuable entity in drug development and research.
Formula:C19H23NO7S
InChI:InChI=1/C12H15NO4.C7H8O3S/c1-16-10-4-7-3-9(12(14)15)13-6-8(7)5-11(10)17-2;1-6-2-4-7(5-3-6)11(8,9)10/h4-5,9,13H,3,6H2,1-2H3,(H,14,15);2-5H,1H3,(H,8,9,10)/t9-;/m0./s1
InChI key:LUNPMLXZNDGGGY-FVGYRXGTSA-N
SMILES:COc1cc2C[C@@H](C(=O)O)NCc2cc1OC.Cc1ccc(cc1)S(=O)(=O)O
Synonyms:
  • 312623-76-0
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