Cas no 55950-07-7 (Bicuculline Methiodide)

Bicuculline Methiodide structure
Bicuculline Methiodide structure
Product Name:Bicuculline Methiodide
CAS No:55950-07-7
MF:C21H20INO6
MW:509.291078567505
CID:367074
PubChem ID:185826
Update Time:2025-04-19

Bicuculline Methiodide Chemical and Physical Properties

Names and Identifiers

    • 1,3-Dioxolo[4,5-g]isoquinolinium,5-[(6S)-6,8-dihydro-8-oxofuro[3,4-e]-1,3-benzodioxol-6-yl]-5,6,7,8-tetrahydro-6,6-dimethyl-,iodide (1:1), (5R)-
    • Bicuculline Methiodide
    • (-)-BICUCULLINE METHIODIDE
    • 1,3-Dioxolo[4,5-g]isoquinolinium,5-[(6S)-6,8-dihydro-8-oxofuro[3,4-e]-1,3-benzodioxol-6-yl]-5,...
    • 1,3-Dioxolo[4,5-g]isoquinolinium,5-[(6S)-6,8-dihydro-8-oxofuro[3,4-e]-1,3-benzodioxol-6-yl]-5,6,7,8-tetrahydro-6,6-dimethyl-,
    • (5R)-5-[(6S)-6,8-Dihydro-8-oxofuro[3,4-e]-1,3-benzodioxol-6-yl]-5,6,7,8-tetrahydro-6,6-dimethyl-1,3-dioxolo[4,5-g]isoquinolinium Iodide
    • 1,3-Dioxolo(4,5-g)isoquinolinium, 5-((6S)-6,8-dihydro-8-oxofuro(3,4-e)-1,3-benzodioxol-6-yl)-5,6,7,8-tetrahydro-6,6-dimethyl-, iodide (1:1), (5R)-
    • AKOS030242442
    • DTXSID40971361
    • 6,6-Dimethyl-5-(8-oxo-6,8-dihydro-2H-furo[3,4-e][1,3]benzodioxol-6-yl)-5,6,7,8-tetrahydro-2H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium iodide
    • 55950-07-7
    • (6S)-6-[(5R)-6,6-Dimethyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-yl]-6H-furo[3,4-g][1,3]benzodioxol-8-one;iodide
    • G77886
    • HKJKCPKPSSVUHY-VOMIJIAVSA-M
    • 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+;/m1./s1
    • InChI Key: HKJKCPKPSSVUHY-VOMIJIAVSA-M
    • SMILES: [I-].O1C(C2C3=C(C=CC=2[C@H]1[C@H]1C2C=C4C(=CC=2CC[N+]1(C)C)OCO4)OCO3)=O

Computed Properties

  • Exact Mass: 509.03400
  • Monoisotopic Mass: 509.03353
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 29
  • Rotatable Bond Count: 1
  • Complexity: 655
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 2
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 63.2

Experimental Properties

  • Melting Point: 175-177°C
  • Boiling Point: °Cat760mmHg
  • Flash Point: °C
  • Solubility: H2O: 10?mg/mL, almost clear, greenish-yellow
  • PSA: 63.22000
  • LogP: -0.30790

Bicuculline Methiodide Security Information

  • Hazardous Material transportation number:UN 1544
  • WGK Germany:3
  • FLUKA BRAND F CODES:3-8-10
  • HazardClass:6.1(b)
  • PackingGroup:III
  • Packing Group:III
  • Hazard Level:6.1(b)
  • Packing Group:III
  • Safety Term:6.1(b)
  • Storage Condition:2-8°C

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