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Substance Name: Ammonium, (2-(3-acetyl-2-methyl-1-indolizinyl)-2-methylethyl)dimethylhexyl-, bromide
RN: 66902-65-6
InChIKey: NJEWIYFJKWEUEN-UHFFFAOYSA-M

Molecular Formula

  • C22-H35-N2-O.Br

Molecular Weight

  • 423.435
 
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Names and Synonyms

Synonym

  • (2-(3-Acetyl-2-methyl-1-indolizinyl)-2-methylethyl)dimethylhexylammonium bromide

Systematic Name

  • Ammonium, (2-(3-acetyl-2-methyl-1-indolizinyl)-2-methylethyl)dimethylhexyl-, bromide

Registry Numbers

CAS Registry Number

  • 66902-65-6

System Generated Number

  • 0066902656

Molecular Formulas

Molecular Formula

  • C22-H35-N2-O.Br

Molecular Formula Fragments

  • Br
  • C22-H35-N2-O
  • COMPONENT

Structure Descriptors

InChI

1S/C22H35N2O.BrH/c1-7-8-9-12-15-24(5,6)16-17(2)21-18(3)22(19(4)25)23-14-11-10-13-20(21)23;/h10-11,13-14,17H,7-9,12,15-16H2,1-6H3;1H/q+1;/p-1

InChIKey

NJEWIYFJKWEUEN-UHFFFAOYSA-M

Smiles

c1(c2n(cccc2)c(c1C)C(C)=O)[C@@H](C[N+](CCCCCC)(C)C)C.[BrH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 2500mg/kg (2500mg/kg)   Journal of Medicinal Chemistry. Vol. 6, Pg. 361, 1963.