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Substance Name: Piperidinium, 1-(carboxymethyl)-1-(3-(2,4-dimethylbenzyl)-2-butenyl)-, chloride, decyl ester
RN: 62988-55-0
InChIKey: APDNYYOSPFWIOV-ZEJCXCISSA-M

Molecular Formula

  • C30-H50-N-O2.Cl

Molecular Weight

  • 492.183
 
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Names and Synonyms

Synonym

  • 1-(Decyloxycarbonylmethyl)-1-(3-(2,4-dimethylbenzyl)-2-butenyl)piperidinium chloride

Systematic Name

  • Piperidinium, 1-(carboxymethyl)-1-(3-(2,4-dimethylbenzyl)-2-butenyl)-, chloride, decyl ester

Registry Numbers

CAS Registry Number

  • 62988-55-0

System Generated Number

  • 0062988550

Molecular Formulas

Molecular Formula

  • C30-H50-N-O2.Cl

Molecular Formula Fragments

  • C30-H50-N-O2
  • Cl
  • COMPONENT

Structure Descriptors

InChI

1S/C30H50NO2.ClH/c1-5-6-7-8-9-10-11-15-22-33-30(32)25-31(19-13-12-14-20-31)21-18-27(3)24-29-17-16-26(2)23-28(29)4;/h16-18,23H,5-15,19-22,24-25H2,1-4H3;1H/q+1;/p-1/b27-18+;

InChIKey

APDNYYOSPFWIOV-ZEJCXCISSA-M

Smiles

CCCCCCCCCCOC(=O)C[N+]1(CCCCC1)C/C=C(\C)/Cc2ccc(cc2C)C.[Cl-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 83mg/kg (83mg/kg)   Russian Pharmacology and Toxicology Vol. 40, Pg. 69, 1977.
rat LD50 intraperitoneal 83mg/kg (83mg/kg)   Russian Pharmacology and Toxicology Vol. 40, Pg. 69, 1977.