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Substance Name: Piperidinium, 1,1'-(p,p'-biphenylylenebis(3-methyl-2-butenylene))bis(1-carboxymethyl-, dichloride, dipentyl ester
RN: 55618-70-7
InChIKey: ZVHGWGYTKWOGAW-WVAUBXGBSA-L

Molecular Formula

  • C46-H70-N2-O4.2Cl

Molecular Weight

  • 785.975
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 55618-70-7

System Generated Number

  • 0055618707

Molecular Formulas

Molecular Formula

  • C46-H70-N2-O4.2Cl

Molecular Formula Fragments

  • C46-H70-N2-O4
  • Cl
  • COMPONENT

Structure Descriptors

InChI

1S/C46H70N2O4.2ClH/c1-5-7-15-33-51-45(49)37-47(27-11-9-12-28-47)31-25-39(3)35-41-17-21-43(22-18-41)44-23-19-42(20-24-44)36-40(4)26-32-48(29-13-10-14-30-48)38-46(50)52-34-16-8-6-2;;/h17-26H,5-16,27-38H2,1-4H3;2*1H/q+2;;/p-2/b39-25+,40-26+;;

InChIKey

ZVHGWGYTKWOGAW-WVAUBXGBSA-L

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 83mg/kg (83mg/kg)   Russian Pharmacology and Toxicology Vol. 40, Pg. 69, 1977.
rat LD50 intraperitoneal 83mg/kg (83mg/kg)   Russian Pharmacology and Toxicology Vol. 40, Pg. 69, 1977.