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Substance Name: 1H-Pyrrolizinium, 4,4'-(1,8-octanediyl)bis(hexahydro-1-(((3-methyl-1-oxo-2-butenyl)oxy)methyl)-, dibromide, (1R-(1-alpha,4(1'R*,7'aR*),7a-beta))-
RN: 62913-11-5
InChIKey: HHZAOBIPMJIPFS-CUIINUPESA-L

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C34-H58-N2-O4.2Br

Molecular Weight

  • 718.6502
 
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Names and Synonyms

Synonym

  • Lindelofidinium, 4,4'-(1,8-octamethylene)bis-, dibromide, bis(2-methylcrotonate)

Systematic Name

  • 1H-Pyrrolizinium, 4,4'-(1,8-octanediyl)bis(hexahydro-1-(((3-methyl-1-oxo-2-butenyl)oxy)methyl)-, dibromide, (1R-(1-alpha,4(1'R*,7'aR*),7a-beta))-

Registry Numbers

CAS Registry Number

  • 62913-11-5

System Generated Number

  • 0062913115

Molecular Formulas

Molecular Formula

  • C34-H58-N2-O4.2Br

Molecular Formula Fragments

  • Br
  • C34-H58-N2-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C34H58N2O4.2BrH/c1-27(2)23-33(37)39-25-29-15-21-35(19-11-13-31(29)35)17-9-7-5-6-8-10-18-36-20-12-14-32(36)30(16-22-36)26-40-34(38)24-28(3)4;;/h23-24,29-32H,5-22,25-26H2,1-4H3;2*1H/q+2;;/p-2/t29-,30-,31+,32+,35?,36?;;/m0../s1

InChIKey

HHZAOBIPMJIPFS-CUIINUPESA-L

Smiles

CC(=CC(=O)OC[C@@H]1CC[N+]2([C@@H]1CCC2)CCCCCCCC[N+]34CCC[C@@H]3[C@@H](CC4)COC(=O)C=C(C)C)C.[Br-].[Br-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 2350ug/kg (2.35mg/kg) AUTONOMIC NERVOUS SYSTEM: SYMPATHOMIMETIC Pharmaceutical Chemistry Journal Vol. 11, Pg. 188, 1977.