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Substance Name: Pyrrolidinium, 1-(5-pyrrolidino-2,4-pentadienylidene)-, perchlorate
RN: 2581-81-9
InChIKey: IOPYAHCREUTVQD-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H21-N2.Cl-O4

Molecular Weight

  • 304.772
 
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Names and Synonyms

Synonym

  • 1-(5-Pyrrolidino-2,4-pentadienylidene)pyrrolidinium perchlorate

Systematic Name

  • Pyrrolidinium, 1-(5-pyrrolidino-2,4-pentadienylidene)-, perchlorate

Registry Numbers

CAS Registry Number

  • 2581-81-9

System Generated Number

  • 0002581819

Molecular Formulas

Molecular Formula

  • C13-H21-N2.Cl-O4

Molecular Formula Fragments

  • C13-H21-N2
  • Cl-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C13H21N2.ClHO4/c1(2-8-14-10-4-5-11-14)3-9-15-12-6-7-13-15;2-1(3,4)5/h1-3,8-9H,4-7,10-13H2;(H,2,3,4,5)/q+1;/p-1

InChIKey

IOPYAHCREUTVQD-UHFFFAOYSA-M

Smiles

[N+]1(=C/C=C/C=C/N2CCCC2)\CCCC1.Cl(=O)(=O)(=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 10mg/kg (10mg/kg)   Journal of Medicinal Chemistry. Vol. 12, Pg. 806, 1969.
mouse LD50 oral 100mg/kg (100mg/kg)   Journal of Medicinal Chemistry. Vol. 12, Pg. 806, 1969.