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Substance Name: Pyrrolidinium, 1-(5-pyrrolidino-2,4-pentadienylidene)-, pamoate, tetrahydrate
RN: 63915-84-4
InChIKey: UWWYQKBJJBZVHJ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C26-H42-N4.C24-H14-O6.4H2-O

Molecular Weight

  • 871.0784
 
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Names and Synonyms

Synonym

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 63915-84-4

System Generated Number

  • 0063915844

Molecular Formulas

Molecular Formula

  • C26-H42-N4.C24-H14-O6.4H2-O

Molecular Formula Fragments

  • C24-H14-O6
  • C26-H42-N4
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C23H16O6.2C13H21N2.4H2O/c24-20-16(14-7-3-1-5-12(14)9-18(20)22(26)27)11-17-15-8-4-2-6-13(15)10-19(21(17)25)23(28)29;2*1(2-8-14-10-4-5-11-14)3-9-15-12-6-7-13-15;;;;/h1-10,24-25H,11H2,(H,26,27)(H,28,29);2*1-3,8-9H,4-7,10-13H2;4*1H2/q;2*+1;;;;

InChIKey

UWWYQKBJJBZVHJ-UHFFFAOYSA-N

Smiles

c1cc2c(c(c(c(c2)C(=O)O)O)Cc3c(c(cc4c3cccc4)C(=O)O)O)cc1.C1CN(CC1)/C=C/C=C/C=[N+]2CCCC2.C1CN(CC1)/C=C/C=C/C=[N+]2CCCC2.O.O.O.O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 50mg/kg (50mg/kg)   Journal of Medicinal Chemistry. Vol. 12, Pg. 806, 1969.
mouse LD50 oral 200mg/kg (200mg/kg)   Journal of Medicinal Chemistry. Vol. 12, Pg. 806, 1969.