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Substance Name: Piperazinium, 1,4-bis(alpha-methylphenethyl)-1,4-diallyl-, dibromide
RN: 23111-77-5
InChIKey: YDESGOWCEPCZIA-UHFFFAOYSA-L

Molecular Formula

  • C28-H38-N2.2Br

Molecular Weight

  • 564.446
 
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Names and Synonyms

Synonyms

  • 1,4-Bis(2-phenyl-1-methylaethyl)-1,4-bis-allyl-piperazinium dibromid
  • 1,4-Bis(2-phenyl-1-methylaethyl)-1,4-bis-allyl-piperazinium dibromid [German]

Systematic Name

  • Piperazinium, 1,4-bis(alpha-methylphenethyl)-1,4-diallyl-, dibromide

Registry Numbers

CAS Registry Number

  • 23111-77-5

System Generated Number

  • 0023111775

Molecular Formulas

Molecular Formula

  • C28-H38-N2.2Br

Molecular Formula Fragments

  • Br
  • C28-H38-N2
  • COMPONENT

Structure Descriptors

InChI

1S/C28H40N2.2BrH/c1-5-17-29(25(3)23-27-13-9-7-10-14-27)19-21-30(18-6-2,22-20-29)26(4)24-28-15-11-8-12-16-28;;/h5-16,25-26H,1-2,17-24H2,3-4H3;2*1H/q+2;;/p-2

InChIKey

YDESGOWCEPCZIA-UHFFFAOYSA-L

Smiles

[N+]1(CC[N+](CC1)(CC=C)[C@@H](Cc1ccccc1)C)(CC=C)[C@@H](Cc1ccccc1)C.[BrH-].[BrH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 14500ug/kg (14.5mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 18, Pg. 1431, 1968.