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Substance Name: Ammonium, (2-(3-acetyl-2-methyl-1-indolizinyl)-2-methylethyl)dimethyl(1,4-xylyl)-, chloride
RN: 66967-61-1
InChIKey: HOUOPSWKKWRKJW-UHFFFAOYSA-M

Molecular Formula

  • C24-H31-N2-O.Cl

Molecular Weight

  • 398.975
 
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Names and Synonyms

Synonym

  • (2-(3-Acetyl-2-methyl-1-indolizinyl)-2-methylethyl)dimethyl(1,4-xylyl)ammonium chloride

Systematic Name

  • Ammonium, (2-(3-acetyl-2-methyl-1-indolizinyl)-2-methylethyl)dimethyl(1,4-xylyl)-, chloride

Registry Numbers

CAS Registry Number

  • 66967-61-1

System Generated Number

  • 0066967611

Molecular Formulas

Molecular Formula

  • C24-H31-N2-O.Cl

Molecular Formula Fragments

  • C24-H31-N2-O
  • Cl
  • COMPONENT

Structure Descriptors

InChI

1S/C24H31N2O.ClH/c1-17-10-12-21(13-11-17)16-26(5,6)15-18(2)23-19(3)24(20(4)27)25-14-8-7-9-22(23)25;/h7-14,18H,15-16H2,1-6H3;1H/q+1;/p-1

InChIKey

HOUOPSWKKWRKJW-UHFFFAOYSA-M

Smiles

c1(c2n(cccc2)c(c1C)C(C)=O)[C@@H](C[N+](Cc1ccc(C)cc1)(C)C)C.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 1600mg/kg (1600mg/kg)   Journal of Medicinal Chemistry. Vol. 6, Pg. 361, 1963.