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Substance Name: Penoctonium bromide [INN]
RN: 17088-72-1
UNII: HF11NTT6MZ
InChIKey: DWUPDLOTOYWYQT-UHFFFAOYSA-M

Classification Codes

  • Drug / Therapeutic Agent
  • Skin / Eye Irritant

Molecular Formulas

  • C26-H50-Br-N-O2
  • C26-H50-N-O2.Br

Molecular Weight

  • 488.59
 
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Names and Synonyms

Name of Substance

  • Penoctonium
  • Penoctonium bromide [INN]

Synonyms

  • alpha,alpha-Dicyclopentyl-acetic acid-diethylamino-ethylester bromoctylate
  • alpha,alpha-Dicyclopentylessigsaure-diaethylamino-aethylester-bromoctylat
  • alpha,alpha-Dicyclopentylessigsaure-diaethylamino-aethylester-bromoctylat [German]
  • Bromure de penoctonium
  • Bromure de penoctonium [INN-French]
  • Bromuro de penoctonio
  • Bromuro de penoctonio [INN-Spanish]
  • NSC 78884
  • Penoctonii bromidum
  • Penoctonii bromidum [INN-Latin]
  • Penoctonium bromide
  • UG 767
  • UNII-HF11NTT6MZ

Systematic Names

  • 1-Octanaminium, N-(2-((dicyclopentylacetyl)oxy)ethyl)-N,N-diethyl-, bromide (9CI)
  • Ammonium, diethyl(2-hydroxyethyl)octyl-, bromide, dicyclopentylacetate
  • Diethyl(2-hydroxyethyl)octyl ammonium bromide dicyclopentylacetate
  • Diethyl(2-hydroxyethyl)octylammonium bromide, dicyclopentylacetate (6CI,7CI)

Registry Numbers

CAS Registry Number

  • 17088-72-1

FDA UNII

  • HF11NTT6MZ

System Generated Number

  • 0017088721

Molecular Formulas

Molecular Formulas

  • C26-H50-Br-N-O2
  • C26-H50-N-O2.Br

Molecular Formula Fragments

  • Br
  • C26-H50-N-O2
  • COMPONENT

Structure Descriptors

InChI

1S/C26H50NO2.BrH/c1-4-7-8-9-10-15-20-27(5-2,6-3)21-22-29-26(28)25(23-16-11-12-17-23)24-18-13-14-19-24;/h23-25H,4-22H2,1-3H3;1H/q+1;/p-1

InChIKey

DWUPDLOTOYWYQT-UHFFFAOYSA-M

Smiles

C1(CCCC1)C(C1CCCC1)C(=O)OCC[N+](CC)(CC)CCCCCCCC.[BrH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 26mg/kg (26mg/kg) BEHAVIORAL: ATAXIA

BEHAVIORAL: TREMOR

SENSE ORGANS AND SPECIAL SENSES: PTOSIS: EYE
Arzneimittel-Forschung. Drug Research. Vol. 18, Pg. 137, 1968.
mouse LD50 intravenous 20mg/kg (20mg/kg) SENSE ORGANS AND SPECIAL SENSES: PTOSIS: EYE

BEHAVIORAL: TREMOR

BEHAVIORAL: ATAXIA
Arzneimittel-Forschung. Drug Research. Vol. 18, Pg. 137, 1968.
mouse LD50 oral 900mg/kg (900mg/kg) BEHAVIORAL: TREMOR

SENSE ORGANS AND SPECIAL SENSES: PTOSIS: EYE

BEHAVIORAL: ATAXIA
Arzneimittel-Forschung. Drug Research. Vol. 18, Pg. 137, 1968.
mouse LD50 subcutaneous 60mg/kg (60mg/kg) BEHAVIORAL: TREMOR

BEHAVIORAL: ATAXIA

SENSE ORGANS AND SPECIAL SENSES: PTOSIS: EYE
Arzneimittel-Forschung. Drug Research. Vol. 18, Pg. 137, 1968.
rat LD50 intravenous 19mg/kg (19mg/kg) BEHAVIORAL: ATAXIA

SENSE ORGANS AND SPECIAL SENSES: PTOSIS: EYE

BEHAVIORAL: TREMOR
Arzneimittel-Forschung. Drug Research. Vol. 18, Pg. 137, 1968.
rat LD50 oral 1200mg/kg (1200mg/kg) BEHAVIORAL: TREMOR

SENSE ORGANS AND SPECIAL SENSES: PTOSIS: EYE

BEHAVIORAL: ATAXIA
Arzneimittel-Forschung. Drug Research. Vol. 18, Pg. 137, 1968.