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Substance Name: 4-Pipecolinium, 1,1'-(4,4'-biphenylylenebis(2-oxoethylene))bis(1-methyl-, diiodide (8CI)
RN: 24459-79-8
InChIKey: CVMFLGWHIFTAHI-UHFFFAOYSA-L

Molecular Formula

  • C30-H44-N2-O2.2I

Molecular Weight

  • 716.474
 
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Names and Synonyms

Synonyms

  • CA 5
  • Piperidinium, (4,4'-biphenylylenebis(2-oxoethylene))bis(1,4-dimethyl-, diiodide

Systematic Names

  • 4-Pipecolinium, (4,4'-biphenylylenebis(2-oxoethylene))bis(1-methyl-, diiodide
  • 4-Pipecolinium, 1,1'-(4,4'-biphenylylenebis(2-oxoethylene))bis(1-methyl-, diiodide (8CI)
  • Piperidinium, 1,1'-((1,1'-biphenyl)-4,4'-diylbis(2-oxo-2,1-ethanediyl))bis(1,4-dimethyl-, diiodide

Registry Numbers

CAS Registry Number

  • 24459-79-8

System Generated Number

  • 0024459798

Molecular Formulas

Molecular Formula

  • C30-H44-N2-O2.2I

Molecular Formula Fragments

  • C30-H44-N2-O2
  • COMPONENT
  • I

Structure Descriptors

InChI

1S/C30H42N2O2.2HI/c1-23-13-17-31(3,18-14-23)21-29(33)27-9-5-25(6-10-27)26-7-11-28(12-8-26)30(34)22-32(4)19-15-24(2)16-20-32;;/h5-12,23-24H,13-22H2,1-4H3;2*1H/q+2;;/p-2

InChIKey

CVMFLGWHIFTAHI-UHFFFAOYSA-L

Smiles

[IH-].[IH-].[N+]1(CCC(CC1)C)(C)CC(c1ccc(c2ccc(cc2)C(C[N+]2(CCC(CC2)C)C)=O)cc1)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 70ug/kg (0.07mg/kg) BEHAVIORAL: MUSCLE WEAKNESS

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES

BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)
Journal of Pharmacology and Experimental Therapeutics. Vol. 166, Pg. 225, 1969.