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Substance Name: Ammonium, (3-benzyl-2-butenyl)(carboxymethyl)diethyl-, chloride, decyl ester
RN: 57757-50-3
InChIKey: YRXMIJCZFQUZRO-RKVLWQGQSA-M

Molecular Formula

  • C27-H46-N-O2.Cl

Molecular Weight

  • 452.118
 
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Names and Synonyms

Synonyms

  • (3-Benzyl-2-butenyl)(decyloxycarbonylmethyl)diethylammonium chloride
  • Ammonium, (3-benzyl-2-butenyl)(decyloxycarbonylmethyl)diethyl-, chloride

Systematic Name

  • Ammonium, (3-benzyl-2-butenyl)(carboxymethyl)diethyl-, chloride, decyl ester

Registry Numbers

CAS Registry Number

  • 57757-50-3

System Generated Number

  • 0057757503

Molecular Formulas

Molecular Formula

  • C27-H46-N-O2.Cl

Molecular Formula Fragments

  • C27-H46-N-O2
  • Cl
  • COMPONENT

Structure Descriptors

InChI

1S/C27H46NO2.ClH/c1-5-8-9-10-11-12-13-17-22-30-27(29)24-28(6-2,7-3)21-20-25(4)23-26-18-15-14-16-19-26;/h14-16,18-20H,5-13,17,21-24H2,1-4H3;1H/q+1;/p-1/b25-20-;

InChIKey

YRXMIJCZFQUZRO-RKVLWQGQSA-M

Smiles

[N+](CC(OCCCCCCCCCC)=O)(C\C=C(/Cc1ccccc1)C)(CC)CC.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 100mg/kg (100mg/kg)   Russian Pharmacology and Toxicology Vol. 40, Pg. 69, 1977.
rat LD50 intraperitoneal 100mg/kg (100mg/kg)   Russian Pharmacology and Toxicology Vol. 40, Pg. 69, 1977.