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CAS 73543-68-7

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Propanamide, 2-amino-N-[(3S,4R,4aR,5R,6R)-3-(dichloromethyl)-3,4,4a,5,6,7-hexahydro-5,6,8-trihydroxy-3-methyl-1-oxo-1H-2-benzopyran-4-yl]-, hydrochloride (1:1), (2S)-

Description:
Propanamide, 2-amino-N-[(3S,4R,4aR,5R,6R)-3-(dichloromethyl)-3,4,4a,5,6,7-hexahydro-5,6,8-trihydroxy-3-methyl-1-oxo-1H-2-benzopyran-4-yl]-, hydrochloride (1:1), (2S)-, is a complex organic compound characterized by its amide functional group and a specific stereochemistry that contributes to its biological activity. The presence of multiple hydroxyl groups suggests potential for hydrogen bonding, which may enhance solubility in polar solvents and influence its interaction with biological macromolecules. The dichloromethyl group indicates a level of reactivity that could be significant in synthetic applications or biological interactions. As a hydrochloride salt, it is likely to be more stable and soluble in aqueous environments compared to its free base form. This compound may exhibit pharmacological properties, potentially acting as an inhibitor or modulator in biochemical pathways, although specific biological activities would require empirical investigation. Its structural complexity and stereochemistry suggest that it could be of interest in medicinal chemistry and drug development.
Formula:C14H20Cl2N2O6·ClH
InChI:InChI=1S/C14H20Cl2N2O6.ClH/c1-4(17)11(22)18-10-8-7(5(19)3-6(20)9(8)21)12(23)24-14(10,2)13(15)16;/h4,6,8-10,13,19-21H,3,17H2,1-2H3,(H,18,22);1H/t4-,6+,8-,9-,10+,14-;/m0./s1
InChI key:InChIKey=AKPKWIDQDYLTIW-IQGHTCFGSA-N
SMILES:N(C([C@H](C)N)=O)[C@@H]1[C@]2(C(C(=O)O[C@@]1([C@@H](Cl)Cl)C)=C(O)C[C@@H](O)[C@@H]2O)[H].Cl
Synonyms:
  • Propanamide, 2-amino-N-[3-(dichloromethyl)-3,4,4a,5,6,7-hexahydro-5,6,8-trihydroxy-3-methyl-1-oxo-1H-2-benzopyran-4-yl]-, monohydrochloride, [3S-[3α,4α(R*),4aβ,5β,6α]]-
  • Propanamide, 2-amino-N-[(3S,4R,4aR,5R,6R)-3-(dichloromethyl)-3,4,4a,5,6,7-hexahydro-5,6,8-trihydroxy-3-methyl-1-oxo-1H-2-benzopyran-4-yl]-, monohydrochloride, (2S)-
  • Propanamide, 2-amino-N-[(3S,4R,4aR,5R,6R)-3-(dichloromethyl)-3,4,4a,5,6,7-hexahydro-5,6,8-trihydroxy-3-methyl-1-oxo-1H-2-benzopyran-4-yl]-, hydrochloride (1:1), (2S)-
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