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Substance Name: Piperazinium, 1,4-bis(alpha-methylphenethyl)-1,4-dimethyl-, bis(methylsulfate)
RN: 23111-76-4
InChIKey: KAQAYAVWNWMJSG-UHFFFAOYSA-L

Molecular Formula

  • C24-H36-N2.2C-H3-O4-S

Molecular Weight

  • 574.756
 
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Names and Synonyms

Synonym

  • 1,4-Bis(alpha-methylphenethyl)-1,4-dimethylpiperazinium bis(methylsulfate)

Systematic Name

  • Piperazinium, 1,4-bis(alpha-methylphenethyl)-1,4-dimethyl-, bis(methylsulfate)

Registry Numbers

CAS Registry Number

  • 23111-76-4

System Generated Number

  • 0023111764

Molecular Formulas

Molecular Formula

  • C24-H36-N2.2C-H3-O4-S

Molecular Formula Fragments

  • C-H3-O4-S
  • C24-H36-N2
  • COMPONENT

Structure Descriptors

InChI

1S/C24H36N2.2CH4O4S/c1-21(19-23-11-7-5-8-12-23)25(3)15-17-26(4,18-16-25)22(2)20-24-13-9-6-10-14-24;2*1-5-6(2,3)4/h5-14,21-22H,15-20H2,1-4H3;2*1H3,(H,2,3,4)/q+2;;/p-2

InChIKey

KAQAYAVWNWMJSG-UHFFFAOYSA-L

Smiles

[N+]1([C@@H](C)Cc2ccccc2)(C)CC[N+](C)(CC1)[C@@H](Cc1ccccc1)C.S(=O)(=O)(OC)[O-].S(=O)(=O)(OC)[O-]

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.