Octamethylene-bis(5-dimethylcarbamoxyisoquinolinium bromide)

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Octamethylene-bis(5-dimethylcarbamoxyisoquinolinium bromide)
Identifiers
3D model (
JSmol
)
  • InChI=1S/C32H40N4O4.2BrH/c1-33(2)31(37)39-29-15-11-13-25-23-35(21-17-27(25)29)19-9-7-5-6-8-10-20-36-22-18-28-26(24-36)14-12-16-30(28)40-32(38)34(3)4;;/h11-18,21-24H,5-10,19-20H2,1-4H3;2*1H/q+2;;/p-2
    Key: NJYACOCRVJAADS-UHFFFAOYSA-L
  • [Br-].[Br-].CN(C)C(=O)Oc1cccc2c1cc[n+](c2)CCCCCCCC[n+]3ccc4c(c3)cccc4OC(=O)N(C)C
Properties
C32H40Br2N4O4
Molar mass 704.504 g·mol−1
Appearance Solid
Melting point 121–125 °C (250–257 °F; 394–398 K)
Soluble
Solubility Soluble in polar solvents
Vapor pressure Negligible
Hazards
Occupational safety and health (OHS/OSH):
Main hazards
 Extremely toxic
Lethal dose or concentration (LD, LC):
16 μg/kg (Mice)
6 μg/kg (Rabbits)
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).

Octamethylene-bis(5-dimethylcarbamoxyisoquinolinium bromide) (4-673-745-01) is an extremely potent carbamate

blood brain barrier very well.[1]

Toxicity

Octamethylene-bis(5-dimethylcarbamoxyisoquinolinium bromide) is an extremely toxic nerve agent that can be lethal even at extremely low doses. The

LD50 in mice and rabbits is 16 μg/kg and 6 μg/kg, respectively.[3]

Synthesis

1,8-dibromooctane in acetonitrile and refluxed for 8 hours. After cooling, the precipitate is filtered and recrystallized from acetonitrile. The product is then dried in vacuo for 14 hours at room temperature, resulting in the final product.[3]

See also

References

  1. ^
    ISBN 9780123744845
    .
  2. ISBN 9780849314346
    .
  3. ^ a b "Isoquinilinium chemical agents". Google Patents.
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