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Substance Name: 9H-Pyrido(3,4-b)indolium, 1-methyl-2-(3-(triethylammonio)propyl)-, dibromide
RN: 63885-45-0
InChIKey: XPUWXYXPAIXPPK-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H31-N3.2Br

Molecular Weight

  • 485.3049
 
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Names and Synonyms

Synonyms

  • Ammonium, (3-(1-methyl-9H-pyrido(3,4-b)indolinio)propyl)triethyl-, dibromide
  • IN 182

Systematic Name

  • 9H-Pyrido(3,4-b)indolium, 1-methyl-2-(3-(triethylammonio)propyl)-, dibromide

Registry Numbers

CAS Registry Number

  • 63885-45-0

System Generated Number

  • 0063885450

Molecular Formulas

Molecular Formula

  • C21-H31-N3.2Br

Molecular Formula Fragments

  • Br
  • C21-H31-N3
  • COMPONENT

Structure Descriptors

InChI

1S/C21H30N3.2BrH/c1-5-24(6-2,7-3)16-10-14-23-15-13-19-18-11-8-9-12-20(18)22-21(19)17(23)4;;/h8-9,11-13,15H,5-7,10,14,16H2,1-4H3;2*1H/q+1;;/p-1

InChIKey

XPUWXYXPAIXPPK-UHFFFAOYSA-M

Smiles

CC[N+](CC)(CC)CCC[n+]1ccc2c3ccccc3[nH]c2c1C.[Br-].[Br-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 13mg/kg (13mg/kg)   Archives Internationales de Pharmacodynamie et de Therapie. Vol. 101, Pg. 38, 1955.