CAS 40709-69-1: 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: [I-].O=C1OC(C2=CC=C3OCOC3=C12)C4C5=CC=6OCOC6C=C5CC[N+]4(C)C

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

(-)-Bicuculline methiodide, 98%

CAS: 40709-69-1

This Thermo Scientific Chemicals brand product was originally part of the Alfa Aesar product portfolio. …

• Formula: C₂₁H₂₀INO₆
• Purity: 98%
• Molecular weight: 509.3

1(S);9(R)-(-)-Bicuculline methiodide

CAS: 40709-69-1

• Formula: C₂₁H₂₀INO₆
• Molecular weight: 509.29

(-)-Bicuculline methiodide

CAS: 40709-69-1

Inhibitor of ionotropic receptor GABA(A); less active isomer

• Formula: C₂₁H₂₀INO₆
• Purity: Min. 95%
• Molecular weight: 509.29 g/mol

(+)-Bicuculline methiodide

CAS: 40709-69-1

(+)-Bicuculline methiodide is a GABAA receptor blocker that blocks epileptogens and may be used in …

• Formula: C₂₁H₂₀INO₆
• Purity: 99.24%
• Color and Shape: Solid
• Molecular weight: 509.29