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Inhibitor Report for: EA-3990

Name Class
EA-3990Type (5)
Other_Name1,8-Bis(Methyl-2-(3-dimethylcarbamoxypyridyl)methylaminooctane dimethobromide
DTXSID901336302
EA3990
Chemical_Nomenclature1,8-Octanediaminium, N,N-bis[[3-[[(dimethylamino)carbonyl]oxy]-2-pyridinyl]methyl]-N,N,N,N-tetramethyl-, dibromide
[3-(dimethylcarbamoyloxy)pyridin-2-yl]methyl-[8-[[3-(dimethylcarbamoyloxy)pyridin-2-yl]methyl-dimethylazaniumyl]octyl]-dimethylazanium;dibromide
FormulaC30H502Br2N6O4
CAS_number110913-95-6
PaperColovic_2013_Curr.Neuropharmacol_11_315
Comment EA-3990 is claimed to be about three times more toxic than VX LD50 for EA-3990 is 0.0063 mg/kg for mice and 0.0026 mg/kg for rabbits
CID13955106
FamilyACHE
InChIKeyDLGVXNFOYUDYCS-UHFFFAOYSA-L
ABTAGUMOWVVEGK-UHFFFAOYSA-L
CanonicalSMILES[N+](CCCCCCCC[N+](C)(C)CC1=NC=CC=C1OC(=O)N(C)C)(C2=NC=CC=C2OC(N(C)C)=O)(C)C.[Br-].[Br-]
CN(C)C(=O)OC1=C(N=CC=C1)C[N+](C)(C)CCCCCCCC[N+](C)(C)CC2=C(C=CC=N2)OC(=O)N(C)C.[Br-].[Br-]
InChIInChI=1S/C29H48N6O4.2BrH/c1-32(2)28(36)38-25-17-15-19-30-24(25)23-34(5,6)21-13-11-9-10-12-14-22-35(7,8)27-26(18-16-20-31-27)39-29(37)33(3)4;;/h15-20H,9-14,21-23H2,1-8H3;2*1H/q+2;;/p-2
InChI=1S/C30H50N6O4.2BrH/c1-33(2)29(37)39-27-17-15-19-31-25(27)23-35(5,6)21-13-11-9-10-12-14-22-36(7,8)24-26-28(18-16-20-32-26)40-30(38)34(3)4;;/h15-20H,9-14,21-24H2,1-8H3;2*1H/q+2;;/p-2
WikipediaEA-3990

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Please cite: Lenfant 2013 Nucleic.Acids.Res. or Marchot Chatonnet 2012 Prot.Pept Lett.
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