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CAS 77497-97-3

:

3-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-, phenylmethyl ester, (3S)-, 4-methylbenzenesulfonate (1:1)

Description:
3-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-, phenylmethyl ester, (3S)-, 4-methylbenzenesulfonate (1:1) is a complex organic compound characterized by its isoquinoline structure, which is a bicyclic compound containing a benzene ring fused to a pyridine ring. This substance features a tetrahydroisoquinoline moiety, indicating that it has undergone partial hydrogenation, resulting in a saturated structure. The presence of a carboxylic acid derivative suggests it has acidic properties, while the phenylmethyl ester indicates it can form esters, which are typically less polar and can enhance lipophilicity. The (3S) designation indicates a specific stereochemistry at the chiral center, which can influence the compound's biological activity and interactions. The 4-methylbenzenesulfonate group contributes to the compound's solubility and stability in various solvents. Overall, this compound may exhibit interesting pharmacological properties, making it of interest in medicinal chemistry and drug development. Its CAS number, 77497-97-3, allows for easy identification in chemical databases.
Formula:C24H27NO5S
InChI:InChI=1/C17H17NO2.C7H8O3S/c19-17(20-12-13-6-2-1-3-7-13)16-10-14-8-4-5-9-15(14)11-18-16;1-6-2-4-7(5-3-6)11(8,9)10/h1-9,16,18H,10-12H2;2-5H,1H3,(H,8,9,10)/t16-;/m0./s1
InChI key:InChIKey=PSMBIFNNFMRIMV-NTISSMGPSA-N
SMILES:C(OCC1=CC=CC=C1)(=O)[C@@H]2CC=3C(CN2)=CC=CC3.S(=O)(=O)(O)C1=CC=C(C)C=C1
Synonyms:
  • (S)-3-benzyloxycarbonyl-1,2,3,4-tetrahydroisoquinolinium p-toluenesulfonate
  • 3-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-, phenylmethyl ester, (3S)-, 4-methylbenzenesulfonate
  • 3-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-, phenylmethyl ester, (3S)-, 4-methylbenzenesulfonate (1:1)
  • 3-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-, phenylmethyl ester, (S)-, 4-methylbenzenesulfonate
  • Benzyl (S)-()-1,2,3,4-tetrahydro-3-isoquinolinecarboxylate p-toluenesulfonic acid salt
  • Phenylmethyl(3S)-1,2,3,4-tetrahydroisoquinoline-3-carboxylate  PTSA  SALT
  • S-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid benzyl ester ptsa salt
  • benzyl (S)-(-)-1,2,3,4-tetrahydroiso-quinolinecar
  • (S)-1,2,3,4-TETRAHYDRO-3-ISOQUINOLINECARBOXYLIC ACID,PHENYLMETHYL ESTER
  • BENZYL (3S)-1,2,3,4-TETRAHYDRO-3-ISOQUINOLINECARBOXYLATE
  • See more synonyms
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