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Substance Name: Piperazinium, 4-(o-bromo-alpha-phenylbenzyl)-1-ethyl-1-methyl-, iodide
RN: 111383-77-8
InChIKey: QQUFYMXBYJWQMP-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H26-Br-N2.I

Molecular Weight

  • 501.2434
 
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Names and Synonyms

Synonym

  • 4-(o-Bromo-alpha-phenylbenzyl)-1-ethyl-1-methylpiperazinium iodide

Systematic Name

  • Piperazinium, 4-(o-bromo-alpha-phenylbenzyl)-1-ethyl-1-methyl-, iodide

Registry Numbers

CAS Registry Number

  • 111383-77-8

System Generated Number

  • 0111383778

Molecular Formulas

Molecular Formula

  • C20-H26-Br-N2.I

Molecular Formula Fragments

  • C20-H26-Br-N2
  • COMPONENT
  • I

Structure Descriptors

InChI

1S/C20H26BrN2.HI/c1-3-23(2)15-13-22(14-16-23)20(17-9-5-4-6-10-17)18-11-7-8-12-19(18)21;/h4-12,20H,3,13-16H2,1-2H3;1H/q+1;/p-1

InChIKey

QQUFYMXBYJWQMP-UHFFFAOYSA-M

Smiles

CC[N+]1(CCN(CC1)C(c2ccccc2)c3ccccc3Br)C.[I-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 115mg/kg (115mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES

BEHAVIORAL: EXCITEMENT
Journal of the American Pharmaceutical Association, Scientific Edition. Vol. 46, Pg. 279, 1957.