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CAS 40709-69-1

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1,3-Dioxolo[4,5-g]isoquinolinium, 5-[(6R)-6,8-dihydro-8-oxofuro[3,4-e]-1,3-benzodioxol-6-yl]-5,6,7,8-tetrahydro-6,6-dimethyl-, iodide (1:1), (5S)-

Description:
1,3-Dioxolo[4,5-g]isoquinolinium, 5-[(6R)-6,8-dihydro-8-oxofuro[3,4-e]-1,3-benzodioxol-6-yl]-5,6,7,8-tetrahydro-6,6-dimethyl-, iodide (1:1), (5S)-, with CAS number 40709-69-1, is a complex organic compound characterized by its unique structural features, including a dioxole ring and an isoquinolinium moiety. This compound exhibits a quaternary ammonium structure due to the presence of the iodide ion, which contributes to its ionic nature. It is likely to be soluble in polar solvents due to its ionic characteristics, while its intricate fused ring system may impart specific biological activities or pharmacological properties. The presence of multiple functional groups, including ketones and dioxoles, suggests potential reactivity and interactions with biological targets. Additionally, the stereochemistry indicated by the (6R) and (5S) designations implies that the compound may exhibit chirality, which can influence its biological activity and interactions. Overall, this compound's unique structure and properties make it of interest in medicinal chemistry and pharmacology.
Formula:C21H20NO6·I
InChI:InChI=1S/C21H20NO6.HI/c1-22(2)6-5-11-7-15-16(26-9-25-15)8-13(11)18(22)19-12-3-4-14-20(27-10-24-14)17(12)21(23)28-19;/h3-4,7-8,18-19H,5-6,9-10H2,1-2H3;1H/q+1;/p-1/t18-,19+;/m0./s1
InChI key:InChIKey=HKJKCPKPSSVUHY-GRTNUQQKSA-M
SMILES:C[N+]1(C)[C@]([C@]2(C3=C(C(=O)O2)C4=C(C=C3)OCO4)[H])(C5=C(C=C6C(=C5)OCO6)CC1)[H].[I-]
Synonyms:
  • (5S)-6,6-dimethyl-5-[(6R)-8-oxo-6,8-dihydrofuro[3,4-e][1,3]benzodioxol-6-yl]-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-6-ium iodide
  • 1,3-Dioxolo(4,5-g)isoquinolinium, 5-((6R)-6,8-dihydro-8-oxofuro(3,4-e)-1,3-benzodioxol-6-yl)-5,6,7,8-tetrahydro-6,6-dimethyl-, iodide, (5S)-
  • 1,3-Dioxolo(4,5-g)isoquinolinium, 5-(6,8-dihydro-8-oxofuro(3,4-e)-1,3-benzodioxol-6-yl)-5,6,7,8-tetrahydro-6,6-dimethyl-, iodide, (R-(R*,S*))-
  • 1,3-Dioxolo[4,5-g]isoquinolinium, 5-[(6R)-6,8-dihydro-8-oxofuro[3,4-e]-1,3-benzodioxol-6-yl]-5,6,7,8-tetrahydro-6,6-dimethyl-, iodide (1:1), (5S)-
  • N-Methylbicuculline iodide
  • Bicuculline methiodide
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