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CAS 718612-51-2

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1H-Pyrano[3′,4′:6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione, 4-ethyl-11-(ethyl-d5)-4,9-dihydroxy-, (4S)-

Description:
1H-Pyrano[3′,4′:6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione, 4-ethyl-11-(ethyl-d5)-4,9-dihydroxy-, (4S)-, is a complex organic compound characterized by its unique bicyclic structure that incorporates both pyran and indolizino moieties. This compound features multiple functional groups, including hydroxyl groups, which contribute to its potential biological activity. The presence of deuterium in the ethyl group indicates isotopic labeling, which can be useful in tracing studies or enhancing analytical detection. Its stereochemistry is specified as (4S), indicating the configuration around a chiral center, which can influence its pharmacological properties. The compound's molecular framework suggests potential applications in medicinal chemistry, particularly in the development of novel therapeutic agents. Additionally, its CAS number, 718612-51-2, allows for precise identification in chemical databases. Overall, this compound exemplifies the intricate relationship between structure and function in organic chemistry, particularly in the context of drug design and development.
Formula:C22H20N2O5
InChI:InChI=1S/C22H20N2O5/c1-3-12-13-7-11(25)5-6-17(13)23-19-14(12)9-24-18(19)8-16-15(20(24)26)10-29-21(27)22(16,28)4-2/h5-8,25,28H,3-4,9-10H2,1-2H3/t22-/m0/s1/i1D3,3D2
InChI key:InChIKey=FJHBVJOVLFPMQE-BOQQFKKFSA-N
SMILES:C(C([2H])([2H])[2H])(C1=C2C(C=3N(C2)C(=O)C4=C(C3)[C@](CC)(O)C(=O)OC4)=NC=5C1=CC(O)=CC5)([2H])[2H]
Synonyms:
  • 1H-Pyrano[3′,4′:6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione, 4-ethyl-11-(ethyl-d5)-4,9-dihydroxy-, (4S)-
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