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Substance Name: 2H-Imidazolinium, 1-(hydroxymethyl)-3-methyl-, chloride, docecanoate
RN: 61413-61-4
InChIKey: JNKRDWASBNZYHD-UHFFFAOYSA-M

Molecular Formula

  • C17-H33-N2-O2.Cl

Molecular Weight

  • 330.897
 
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Names and Synonyms

Synonym

  • 1-((n-Dodecanoyloxy)methyl)-3-methylimidazolinium chloride

Systematic Name

  • 2H-Imidazolinium, 1-(hydroxymethyl)-3-methyl-, chloride, docecanoate

Registry Numbers

CAS Registry Number

  • 61413-61-4

System Generated Number

  • 0061413614

Molecular Formulas

Molecular Formula

  • C17-H33-N2-O2.Cl

Molecular Formula Fragments

  • C17-H33-N2-O2
  • Cl
  • COMPONENT

Structure Descriptors

InChI

1S/C17H31N2O2.ClH/c1-3-4-5-6-7-8-9-10-11-12-17(20)21-16-19-14-13-18(2)15-19;/h13-15H,3-12,16H2,1-2H3;1H/q+1;/p-1

InChIKey

JNKRDWASBNZYHD-UHFFFAOYSA-M

Smiles

[n+]1(cn(C)cc1)COC(CCCCCCCCCCC)=O.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 155mg/kg (155mg/kg)   Journal of Medicinal Chemistry. Vol. 23, Pg. 469, 1980.
mouse LD50 intravenous 75mg/kg (75mg/kg)   Journal of Medicinal Chemistry. Vol. 23, Pg. 469, 1980.
mouse LD50 oral 4110mg/kg (4110mg/kg)   Journal of Medicinal Chemistry. Vol. 23, Pg. 469, 1980.