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Substance Name: Piperazinium, 1-benzyl-1,4-bis(alpha-methylphenethyl)-, bromide
RN: 23111-70-8
InChIKey: KCTRIOPYOHOKFL-UHFFFAOYSA-M

Molecular Formula

  • C29-H37-N2.Br

Molecular Weight

  • 493.529
 
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Names and Synonyms

Synonym

  • 1-Benzyl-1,4-bis(alpha-methylphenethyl)piperazinium bromide

Systematic Name

  • Piperazinium, 1-benzyl-1,4-bis(alpha-methylphenethyl)-, bromide

Registry Numbers

CAS Registry Number

  • 23111-70-8

System Generated Number

  • 0023111708

Molecular Formulas

Molecular Formula

  • C29-H37-N2.Br

Molecular Formula Fragments

  • Br
  • C29-H37-N2
  • COMPONENT

Structure Descriptors

InChI

1S/C29H37N2.BrH/c1-25(22-27-12-6-3-7-13-27)30-18-20-31(21-19-30,24-29-16-10-5-11-17-29)26(2)23-28-14-8-4-9-15-28;/h3-17,25-26H,18-24H2,1-2H3;1H/q+1;/p-1

InChIKey

KCTRIOPYOHOKFL-UHFFFAOYSA-M

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 29mg/kg (29mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 18, Pg. 1431, 1968.
mouse LD50 subcutaneous 350mg/kg (350mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 97, Pg. 25, 1949.