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CAS 77481-82-4

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Cinchonanium, 9-hydroxy-6′-methoxy-1-(phenylmethyl)-, chloride (1:1), (9S)-

Description:
Cinchonanium, 9-hydroxy-6′-methoxy-1-(phenylmethyl)-, chloride (1:1), (9S)- is a chemical compound that belongs to the class of alkaloids derived from the cinchona tree. This substance is characterized by its complex structure, which includes a cinchona-derived backbone with a hydroxyl group and a methoxy group, as well as a phenylmethyl substituent. The presence of the chloride ion indicates that it forms a salt, which can influence its solubility and stability in various solvents. This compound is known for its potential pharmacological properties, particularly in the context of its use as a chiral auxiliary in asymmetric synthesis and its role in medicinal chemistry. The specific stereochemistry denoted by (9S) suggests a particular three-dimensional arrangement of atoms that can significantly affect the compound's biological activity. Overall, cinchonanium chloride exhibits interesting characteristics that make it a subject of study in both organic chemistry and pharmacology.
Formula:C27H31N2O2·Cl
InChI:InChI=1S/C27H31N2O2.ClH/c1-3-20-18-29(17-19-7-5-4-6-8-19)14-12-21(20)15-26(29)27(30)23-11-13-28-25-10-9-22(31-2)16-24(23)25;/h3-11,13,16,20-21,26-27,30H,1,12,14-15,17-18H2,2H3;1H/q+1;/p-1/t20-,21-,26+,27-,29+;/m0./s1
InChI key:InChIKey=JYDIJFKNXHPWBJ-SRSULIGWSA-M
SMILES:C([N@@+]12[C@@]([C@@H](O)C=3C4=C(C=CC(OC)=C4)N=CC3)(C[C@@]([C@@H](C=C)C1)(CC2)[H])[H])C5=CC=CC=C5.[Cl-]
Synonyms:
  • 1-Benzylquinidinium chloride
  • Cinchonanium, 9-hydroxy-6′-methoxy-1-(phenylmethyl)-, chloride (1:1), (9S)-
  • Cinchonanium, 9-hydroxy-6′-methoxy-1-(phenylmethyl)-, chloride, (9S)-
  • N-Benzylquinidinium chloride
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