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CAS 1395347-28-0

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Methyl (1R,3S)-1-[5-chloro-1-[(1,1-dimethylethoxy)carbonyl]-1H-indol-3-yl]-1,2,3,4-tetrahydro-6,7-dihydroxy-3-isoquinolinecarboxylate

Description:
Methyl (1R,3S)-1-[5-chloro-1-[(1,1-dimethylethoxy)carbonyl]-1H-indol-3-yl]-1,2,3,4-tetrahydro-6,7-dihydroxy-3-isoquinolinecarboxylate, with CAS number 1395347-28-0, is a complex organic compound characterized by its intricate molecular structure, which includes multiple functional groups such as esters, hydroxyls, and halogens. This compound features a chiral center, indicated by the (1R,3S) configuration, which contributes to its stereochemistry and potential biological activity. The presence of the chloro substituent and the dimethylethoxycarbonyl group suggests that it may exhibit specific reactivity and solubility properties, making it of interest in medicinal chemistry. Its isoquinoline and indole moieties are often associated with various pharmacological activities, including anti-inflammatory and anticancer effects. The compound's synthesis and characterization would typically involve advanced organic chemistry techniques, and its potential applications could be explored in drug development or as a biochemical probe. Overall, this substance exemplifies the complexity and diversity of organic compounds used in research and therapeutic contexts.
Formula:C24H25ClN2O6
InChI:InChI=1S/C24H25ClN2O6/c1-24(2,3)33-23(31)27-11-16(15-9-13(25)5-6-18(15)27)21-14-10-20(29)19(28)8-12(14)7-17(26-21)22(30)32-4/h5-6,8-11,17,21,26,28-29H,7H2,1-4H3/t17-,21+/m0/s1
InChI key:InChIKey=RPJDFROXXPIQAD-LAUBAEHRSA-N
SMILES:C(OC(C)(C)C)(=O)N1C=C(C=2C1=CC=C(Cl)C2)[C@H]3C=4C(C[C@@H](C(OC)=O)N3)=CC(O)=C(O)C4
Synonyms:
  • Methyl (1R,3S)-1-[5-chloro-1-[(1,1-dimethylethoxy)carbonyl]-1H-indol-3-yl]-1,2,3,4-tetrahydro-6,7-dihydroxy-3-isoquinolinecarboxylate
  • 3-Isoquinolinecarboxylic acid, 1-[5-chloro-1-[(1,1-dimethylethoxy)carbonyl]-1H-indol-3-yl]-1,2,3,4-tetrahydro-6,7-dihydroxy-, methyl ester, (1R,3S)-
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