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Substance Name: Ammonium, 3-hexenylenebis(trimethyl-, dibromide, (E)-
RN: 66967-77-9
InChIKey: PEYZDTQHQGVYNR-MIIBGCIDSA-L

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H28-N2.2Br

Molecular Weight

  • 360.175
 
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Names and Synonyms

Synonym

  • trans-3-Hexenylenebis(trimethylammonium)dibromide

Systematic Name

  • Ammonium, 3-hexenylenebis(trimethyl-, dibromide, (E)-

Registry Numbers

CAS Registry Number

  • 66967-77-9

System Generated Number

  • 0066967779

Molecular Formulas

Molecular Formula

  • C12-H28-N2.2Br

Molecular Formula Fragments

  • Br
  • C12-H28-N2
  • COMPONENT

Structure Descriptors

InChI

1S/C12H28N2.2BrH/c1-13(2,3)11-9-7-8-10-12-14(4,5)6;;/h7-8H,9-12H2,1-6H3;2*1H/q+2;;/p-2/b8-7+;;

InChIKey

PEYZDTQHQGVYNR-MIIBGCIDSA-L

Smiles

C([N+](C)(C)C)C\C=C\CC[N+](C)(C)C.[BrH-].[BrH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 75mg/kg (75mg/kg) LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES Journal of Medicinal Chemistry. Vol. 6, Pg. 402, 1963.