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CAS 15912-56-8

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3-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-, ethyl ester, hydrochloride (1:1), (3S)-

Description:
3-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-, ethyl ester, hydrochloride (1:1), (3S)-, is a chemical compound characterized by its isoquinoline structure, which is a bicyclic aromatic compound. This substance features a tetrahydroisoquinoline moiety, indicating that it has undergone partial hydrogenation, resulting in a saturated ring system. The presence of a carboxylic acid functional group, along with an ethyl ester, suggests that it can participate in various chemical reactions, including esterification and hydrolysis. The hydrochloride form indicates that the compound is a salt, which typically enhances its solubility in water and may influence its pharmacological properties. The (3S)- designation refers to the specific stereochemistry of the compound, which can be crucial for its biological activity. Overall, this compound may exhibit interesting pharmacological properties, making it of interest in medicinal chemistry and drug development. Its CAS number, 15912-56-8, allows for precise identification in chemical databases and literature.
Formula:C12H15NO2·ClH
InChI:InChI=1S/C12H15NO2.ClH/c1-2-15-12(14)11-7-9-5-3-4-6-10(9)8-13-11;/h3-6,11,13H,2,7-8H2,1H3;1H/t11-;/m0./s1
InChI key:InChIKey=GKLWWGAFDIKVQY-MERQFXBCSA-N
SMILES:C(OCC)(=O)[C@@H]1CC=2C(CN1)=CC=CC2.Cl
Synonyms:
  • 3-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-, ethyl ester, hydrochloride (1:1), (3S)-
  • 3-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-, ethyl ester, hydrochloride, (S)-
  • 3-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-, ethyl ester, hydrochloride, (3S)-
  • 3-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-, ethyl ester, hydrochloride, (-)-
  • (S)-Ethyl 1,2,3,4-tetrahydroisoquinoline-3-carboxylate hydrochloride
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