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Substance Name: Pyridinium, 4-(2-(1-methylindol-3-yl)ethyl)-1-(3-(trimethylammonio)propyl)-, dibromide
RN: 21199-35-9
InChIKey: NIRYDGHMDCQDDE-UHFFFAOYSA-L

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H30-N3.2Br

Molecular Weight

  • 497.316
 
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Names and Synonyms

Synonyms

  • 4-(2-(1-Methylindol-3-yl)ethyl)-1-(3-(trimethylammonio)propyl)pyridinium dibromide
  • Ammonium, (3-(4-(2-(1-methylindol-3-yl)ethyl)pyridino)propyl)trimethyl-, dibromide
  • N-(3-Trimethylaminopropyl)-4-(N-methyl-3-indolylethyl) pyridinium dibromide
  • Pyridinium, N-(3-trimethylaminopropyl)-4-(N-methyl-3-indolylethyl)-, dibromide
  • USAF IN-391

Systematic Name

  • Pyridinium, 4-(2-(1-methylindol-3-yl)ethyl)-1-(3-(trimethylammonio)propyl)-, dibromide

Registry Numbers

CAS Registry Number

  • 21199-35-9

System Generated Number

  • 0021199359

Molecular Formulas

Molecular Formula

  • C22-H30-N3.2Br

Molecular Formula Fragments

  • Br
  • C22-H30-N3
  • COMPONENT

Structure Descriptors

InChI

1S/C22H31N3.2BrH/c1-23-21(18-20-8-5-6-9-22(20)23)11-10-19-12-15-24(16-13-19)14-7-17-25(2,3)4;;/h5-6,8-9,12-13,15-16,18H,7,10-11,14,17H2,1-4H3;2*1H/q+2;;/p-2

InChIKey

NIRYDGHMDCQDDE-UHFFFAOYSA-L

Smiles

n1(c(cc2c1cccc2)CCc1cc[n+](cc1)CCC[N+](C)(C)C)C.[BrH-].[BrH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 25mg/kg (25mg/kg)   National Technical Information Service. Vol. AD277-689,
mouse LD50 intravenous 13200ug/kg (13.2mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 120, Pg. 438, 1957.