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Substance Name: Piperidinium, 1-(5-piperidino-2,4-pentadienylidene)-, 4,4'-methylenebis(3-hydroxy-2-naphthoate), hydrate (2:1:2)
RN: 23996-76-1
InChIKey: CZKCTMUVEGSVSA-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C30-H50-N4.C23-H14-O6.2H2-O

Molecular Weight

  • 854.119
 
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Names and Synonyms

  • Piperidinium, 1-(5-piperidino-2,4-pentadienylidene)-, 4,4'-methylenebis(3-hydroxy-2-naphthoate), hydrate (2:1:2)

Registry Numbers

CAS Registry Number

  • 23996-76-1

System Generated Number

  • 0023996761

Molecular Formulas

Molecular Formula

  • C30-H50-N4.C23-H14-O6.2H2-O

Molecular Formula Fragments

  • C23-H14-O6
  • C30-H50-N4
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C23H16O6.2C15H25N2/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*1-4-10-16(11-5-1)14-8-3-9-15-17-12-6-2-7-13-17/h1-10,24-25H,11H2,(H,26,27)(H,28,29);2*3,8-9,14-15H,1-2,4-7,10-13H2/q;2*+1/p-1

InChIKey

CZKCTMUVEGSVSA-UHFFFAOYSA-M

Smiles

C(c1c(c(cc2ccccc12)C(=O)O)O)c1c(c(cc2ccccc12)C(=O)[O-])O.[N+]1(\CCCCC1)=C\C=C\C=C\N1CCCCC1.[N+]1(\CCCCC1)=C\C=C\C=C\N1CCCCC1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 1gm/kg (1000mg/kg)   Journal of Medicinal Chemistry. Vol. 12, Pg. 806, 1969.
mouse LD50 oral > 1gm/kg (1000mg/kg)   Journal of Medicinal Chemistry. Vol. 12, Pg. 806, 1969.