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Substance Name: Pyrrolidinium, 1-(2-methyl-5-pyrrolidino-2,4-pentadienylidene)-, pamoate, dihydrate
RN: 63886-18-0
InChIKey: BVWDWBBIQPIAHW-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C28-H52-N4.C24-H14-O6.2H2-O

Molecular Weight

  • 863.1024
 
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Names and Synonyms

Synonym

  • 1-(2-Methyl-5-pyrrolidino-2,4-pentadienylidene)pyrrolidinium pamoate dihydrate

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 63886-18-0

System Generated Number

  • 0063886180

Molecular Formulas

Molecular Formula

  • C28-H52-N4.C24-H14-O6.2H2-O

Molecular Formula Fragments

  • C24-H14-O6
  • C28-H52-N4
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C23H16O6.2C14H23N2.2H2O/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*1-14(13-16-10-4-5-11-16)7-6-12-15-8-2-3-9-15;;/h1-10,24-25H,11H2,(H,26,27)(H,28,29);2*6-7,12-13H,2-5,8-11H2,1H3;2*1H2/q;2*+1;;

InChIKey

BVWDWBBIQPIAHW-UHFFFAOYSA-N

Smiles

C/C(=C\C=C\N1CCCC1)/C=[N+]2CCCC2.C/C(=C\C=C\N1CCCC1)/C=[N+]2CCCC2.c1cc2c(c(c(c(c2)C(=O)O)O)Cc3c(c(cc4c3cccc4)C(=O)O)O)cc1.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 500mg/kg (500mg/kg)   Journal of Medicinal Chemistry. Vol. 12, Pg. 806, 1969.