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Substance Name: Piperidinium, 1-(3-benzyl-2-butenyl)-1-(carboxymethyl)-, chloride, dodecyl ester
RN: 62988-43-6
InChIKey: SESBRLOUCRGENS-HUPDFLJJSA-M

Molecular Formula

  • C30-H50-N-O2.Cl

Molecular Weight

  • 492.183
 
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Names and Synonyms

Synonym

  • 1-(3-Benzyl-2-butenyl)-1-(dodecyloxycarbonylmethyl)piperidinium chloride

Systematic Name

  • Piperidinium, 1-(3-benzyl-2-butenyl)-1-(carboxymethyl)-, chloride, dodecyl ester

Registry Numbers

CAS Registry Number

  • 62988-43-6

System Generated Number

  • 0062988436

Molecular Formulas

Molecular Formula

  • C30-H50-N-O2.Cl

Molecular Formula Fragments

  • C30-H50-N-O2
  • Cl
  • COMPONENT

Structure Descriptors

InChI

1S/C30H50NO2.ClH/c1-3-4-5-6-7-8-9-10-11-18-25-33-30(32)27-31(22-16-13-17-23-31)24-21-28(2)26-29-19-14-12-15-20-29;/h12,14-15,19-21H,3-11,13,16-18,22-27H2,1-2H3;1H/q+1;/p-1/b28-21+;

InChIKey

SESBRLOUCRGENS-HUPDFLJJSA-M

Smiles

CCCCCCCCCCCCOC(=O)C[N+]1(CCCCC1)C/C=C(\C)/Cc2ccccc2.[Cl-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 23mg/kg (23mg/kg)   Russian Pharmacology and Toxicology Vol. 40, Pg. 69, 1977.
rat LD50 intraperitoneal 23mg/kg (23mg/kg)   Russian Pharmacology and Toxicology Vol. 40, Pg. 69, 1977.