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Substance Name: Pyridinium, 1,2,5,6-tetrahydro-1-(3,4,5-trimethoxyphenyl)-1,4,5-trimethyl-, chloride
RN: 57330-92-4
InChIKey: BETAQCRRCJRXRB-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H28-N-O3.Cl

Molecular Weight

  • 341.8762
 
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Names and Synonyms

Synonyms

  • 1,2,5,6-Tetrahydro-1-(3,4,5-trimethoxyphenyl)-1,4,5-trimethylpyridinium chloride
  • 1,3,4-Trimethyl-1-(3,4,5-trimethoxybenzyl)-1,2,5,6-tetrahydropyridinium chloride

Systematic Name

  • Pyridinium, 1,2,5,6-tetrahydro-1-(3,4,5-trimethoxyphenyl)-1,4,5-trimethyl-, chloride

Registry Numbers

CAS Registry Number

  • 57330-92-4

System Generated Number

  • 0057330924

Molecular Formulas

Molecular Formula

  • C18-H28-N-O3.Cl

Molecular Formula Fragments

  • C18-H28-N-O3
  • Cl
  • COMPONENT

Structure Descriptors

InChI

1S/C18H28NO3.ClH/c1-13-7-8-19(3,11-14(13)2)12-15-9-16(20-4)18(22-6)17(10-15)21-5;/h9-10H,7-8,11-12H2,1-6H3;1H/q+1;/p-1

InChIKey

BETAQCRRCJRXRB-UHFFFAOYSA-M

Smiles

CC1=C(C[N+](CC1)(C)Cc2cc(c(c(c2)OC)OC)OC)C.[Cl-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 77mg/kg (77mg/kg)   United States Patent Document. Vol. #4001414,