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Substance Name: Piperidinium, 1,1'-(p,p'-biphenylylenebis(3-methyl-2-butenylene))bis(1-carboxymethyl-, dichloride, dinonyl ester
RN: 55618-74-1
InChIKey: XLNRTILNHWZTBD-AFAUANEASA-L

Molecular Formula

  • C54-H86-N2-O4.2Cl

Molecular Weight

  • 898.1894
 
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Names and Synonyms

  • Piperidinium, 1,1'-(p,p'-biphenylylenebis(3-methyl-2-butenylene))bis(1-carboxymethyl-, dichloride, dinonyl ester

Registry Numbers

CAS Registry Number

  • 55618-74-1

System Generated Number

  • 0055618741

Molecular Formulas

Molecular Formula

  • C54-H86-N2-O4.2Cl

Molecular Formula Fragments

  • C54-H86-N2-O4
  • Cl
  • COMPONENT

Structure Descriptors

InChI

1S/C54H86N2O4.2ClH/c1-5-7-9-11-13-15-23-41-59-53(57)45-55(35-19-17-20-36-55)39-33-47(3)43-49-25-29-51(30-26-49)52-31-27-50(28-32-52)44-48(4)34-40-56(37-21-18-22-38-56)46-54(58)60-42-24-16-14-12-10-8-6-2;;/h25-34H,5-24,35-46H2,1-4H3;2*1H/q+2;;/p-2/b47-33+,48-34+;;

InChIKey

XLNRTILNHWZTBD-AFAUANEASA-L

Smiles

CCCCCCCCCOC(=O)C[N+]1(CCCCC1)C/C=C(/Cc2ccc(cc2)c3ccc(cc3)C/C(=C/C[N+]4(CCCCC4)CC(=O)OCCCCCCCCC)/C)\C.[Cl-].[Cl-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 52mg/kg (52mg/kg)   Russian Pharmacology and Toxicology Vol. 40, Pg. 69, 1977.
rat LD50 intraperitoneal 52mg/kg (52mg/kg)   Russian Pharmacology and Toxicology Vol. 40, Pg. 69, 1977.