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Substance Name: Piperidinium, 1,1'-(p,p'-biphenylylenebis(3-methyl-2-butenylene))bis(1-carboxymethyl-, dichloride, didecyl ester
RN: 55618-75-2
InChIKey: SMZYRCYXALBQOX-CRICHLSFSA-L

Molecular Formula

  • C56-H90-N2-O4.2Cl

Molecular Weight

  • 926.243
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 55618-75-2

System Generated Number

  • 0055618752

Molecular Formulas

Molecular Formula

  • C56-H90-N2-O4.2Cl

Molecular Formula Fragments

  • C56-H90-N2-O4
  • Cl
  • COMPONENT

Structure Descriptors

InChI

1S/C56H90N2O4.2ClH/c1-5-7-9-11-13-15-17-25-43-61-55(59)47-57(37-21-19-22-38-57)41-35-49(3)45-51-27-31-53(32-28-51)54-33-29-52(30-34-54)46-50(4)36-42-58(39-23-20-24-40-58)48-56(60)62-44-26-18-16-14-12-10-8-6-2;;/h27-36H,5-26,37-48H2,1-4H3;2*1H/q+2;;/p-2/b49-35+,50-36+;;

InChIKey

SMZYRCYXALBQOX-CRICHLSFSA-L

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 43mg/kg (43mg/kg)   Russian Pharmacology and Toxicology Vol. 40, Pg. 69, 1977.
rat LD50 intraperitoneal 43mg/kg (43mg/kg)   Russian Pharmacology and Toxicology Vol. 40, Pg. 69, 1977.