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Substance Name: Piperidinium, 1,1'-(p,p'-biphenylylenebis(3-methyl-2-butenylene))bis(1-carboxymethyl-, dichloride, dimethyl ester
RN: 55618-66-1
InChIKey: VBUDNVCOKLPYKS-VLZNXZFCSA-L

Molecular Formula

  • C38-H54-N2-O4.2Cl

Molecular Weight

  • 673.7606
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 55618-66-1

System Generated Number

  • 0055618661

Molecular Formulas

Molecular Formula

  • C38-H54-N2-O4.2Cl

Molecular Formula Fragments

  • C38-H54-N2-O4
  • Cl
  • COMPONENT

Structure Descriptors

InChI

1S/C38H54N2O4.2ClH/c1-31(19-25-39(29-37(41)43-3)21-7-5-8-22-39)27-33-11-15-35(16-12-33)36-17-13-34(14-18-36)28-32(2)20-26-40(30-38(42)44-4)23-9-6-10-24-40;;/h11-20H,5-10,21-30H2,1-4H3;2*1H/q+2;;/p-2/b31-19+,32-20+;;

InChIKey

VBUDNVCOKLPYKS-VLZNXZFCSA-L

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 22mg/kg (22mg/kg)   Russian Pharmacology and Toxicology Vol. 40, Pg. 69, 1977.