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Substance Name: Atropine-N-octylbromide
RN: 5843-82-3
UNII: 84WU09WR1Z
InChIKey: DLZGOGBFEPLEJA-YYYJYMDPSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C25-H40-N-O3.Br

Molecular Weight

  • 482.499
 
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Names and Synonyms

Name of Substance

  • Atropine-N-octylbromide

Synonyms

  • 8-Octylatropinium bromide
  • Atropin-n-octylbromid
  • Atropin-n-octylbromid [German]
  • Atropine N-octyl bromide
  • Atropine octabromide
  • EINECS 227-435-0
  • N-n-Octyl-atropiniumbromid
  • N-n-Octyl-atropiniumbromid [German]
  • N-n-Octylatropine bromide
  • N-n-Octylatropinium bromide
  • N-Octylatropinium bromide
  • UNII-84WU09WR1Z

Systematic Names

  • 1-alpha-H,5-alpha-H-Tropanium, 3-alpha-hydroxy-8-octyl-, bromide, (-+)-tropate (8CI)
  • Atropinium, N-octyl-, bromide
  • endo-(1)-3-(3-Hydroxy-1-oxo-2-phenylpropoxy)-8-methyl-8-octyl-8-azoniabicyclo(3.2.1)octane bromide

Registry Numbers

CAS Registry Number

  • 5843-82-3

FDA UNII

  • 84WU09WR1Z

System Generated Number

  • 0005843823

Molecular Formulas

Molecular Formula

  • C25-H40-N-O3.Br

Molecular Formula Fragments

  • Br
  • C25-H40-N-O3
  • COMPONENT

Structure Descriptors

InChI

1S/C25H40NO3.BrH/c1-3-4-5-6-7-11-16-26(2)21-14-15-22(26)18-23(17-21)29-25(28)24(19-27)20-12-9-8-10-13-20;/h8-10,12-13,21-24,27H,3-7,11,14-19H2,1-2H3;1H/q+1;/p-1/t21-,22+,23+,24?,26?;

InChIKey

DLZGOGBFEPLEJA-YYYJYMDPSA-M

Smiles

[Br-].CCCCCCCC[N+]1(C)[C@H]2CC[C@@H]1CC(C2)OC(=O)C(CO)c3ccccc3

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 102mg/kg (102mg/kg) BEHAVIORAL: ATAXIA

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Oyo Yakuri. Pharmacometrics. Vol. 5, Pg. 813, 1971.
mouse LD50 intravenous 8200ug/kg (8.2mg/kg) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION

BEHAVIORAL: ATAXIA

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Oyo Yakuri. Pharmacometrics. Vol. 5, Pg. 813, 1971.
mouse LD50 oral 380mg/kg (380mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 7, Pg. 217, 1957.
mouse LD50 subcutaneous 335mg/kg (335mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 7, Pg. 217, 1957.