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Substance Name: Piperidinium, 1-(2-methyl-5-piperidino-2,4-pentadienylidene)-, pamoate, tetrahydrate
RN: 63916-13-2
InChIKey: ANPZMAPFKWAFEX-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C32-H54-N4.C23-H14-O6.4H2-O

Molecular Weight

  • 955.2392
 
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Names and Synonyms

Synonym

  • 1-(2-Methyl-5-piperidinium-2,4-pentadienylidene)piperidinium pamoate tetrahydrate

Systematic Name

  • Piperidinium, 1-(2-methyl-5-piperidino-2,4-pentadienylidene)-, pamoate, tetrahydrate

Registry Numbers

CAS Registry Number

  • 63916-13-2

System Generated Number

  • 0063916132

Molecular Formulas

Molecular Formula

  • C32-H54-N4.C23-H14-O6.4H2-O

Molecular Formula Fragments

  • C23-H14-O6
  • C32-H54-N4
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C23H16O6.2C16H27N2.4H2O/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*1-16(15-18-12-6-3-7-13-18)9-8-14-17-10-4-2-5-11-17;;;;/h1-10,24-25H,11H2,(H,26,27)(H,28,29);2*8-9,14-15H,2-7,10-13H2,1H3;4*1H2/q;2*+1;;;;

InChIKey

ANPZMAPFKWAFEX-UHFFFAOYSA-N

Smiles

C/C(=C\C=C\N1CCCCC1)/C=[N+]2CCCCC2.C/C(=C\C=C\N1CCCCC1)/C=[N+]2CCCCC2.c1cc2c(c(c(c(c2)C(=O)O)O)Cc3c(c(cc4c3cccc4)C(=O)O)O)cc1.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 500mg/kg (500mg/kg)   Journal of Medicinal Chemistry. Vol. 12, Pg. 806, 1969.