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Substance Name: 3-Pyrrolinium, 1-(5-(3-pyrrolino)-2,4-pentadienylidene)-, perchlorate
RN: 23025-73-2
InChIKey: SYYSYOYRAULAGV-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H17-N2.Cl-O4

Molecular Weight

  • 300.74
 
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Names and Synonyms

Synonym

  • 1-(5-(3-Pyrrolino)-2,4-pentadienylidene)-3-pyrrolinium perchlorate

Systematic Name

  • 3-Pyrrolinium, 1-(5-(3-pyrrolino)-2,4-pentadienylidene)-, perchlorate

Registry Numbers

CAS Registry Number

  • 23025-73-2

System Generated Number

  • 0023025732

Molecular Formulas

Molecular Formula

  • C13-H17-N2.Cl-O4

Molecular Formula Fragments

  • C13-H17-N2
  • Cl-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C13H17N2.ClHO4/c1(2-8-14-10-4-5-11-14)3-9-15-12-6-7-13-15;2-1(3,4)5/h1-9H,10-13H2;(H,2,3,4,5)/q+1;/p-1

InChIKey

SYYSYOYRAULAGV-UHFFFAOYSA-M

Smiles

Cl(=O)([O-])(=O)=O.C=1CN(\C=C/C=C\C=[N+]2/CC=CC2)CC1

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.