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Substance Name: Piperidinium, 1,1'-(p,p'-biphenylylenebis(3-methyl-2-butenylene))bis(1-carboxymethyl-, dichloride, diheptyl ester
RN: 55618-72-9
InChIKey: MHJUMHFGOGHVBX-KMZJIFPJSA-L

Molecular Formula

  • C50-H78-N2-O4.2Cl

Molecular Weight

  • 842.0822
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 55618-72-9

System Generated Number

  • 0055618729

Molecular Formulas

Molecular Formula

  • C50-H78-N2-O4.2Cl

Molecular Formula Fragments

  • C50-H78-N2-O4
  • Cl
  • COMPONENT

Structure Descriptors

InChI

1S/C50H78N2O4.2ClH/c1-5-7-9-11-19-37-55-49(53)41-51(31-15-13-16-32-51)35-29-43(3)39-45-21-25-47(26-22-45)48-27-23-46(24-28-48)40-44(4)30-36-52(33-17-14-18-34-52)42-50(54)56-38-20-12-10-8-6-2;;/h21-30H,5-20,31-42H2,1-4H3;2*1H/q+2;;/p-2/b43-29+,44-30+;;

InChIKey

MHJUMHFGOGHVBX-KMZJIFPJSA-L

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 92mg/kg (92mg/kg)   Russian Pharmacology and Toxicology Vol. 40, Pg. 69, 1977.
rat LD50 intraperitoneal 92mg/kg (92mg/kg)   Russian Pharmacology and Toxicology Vol. 40, Pg. 69, 1977.