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Substance Name: Pyrrolidinium, 1-ethyl-3-hydroxy-1-methyl-, bromide, benzilate
RN: 13696-05-4
InChIKey: HTAKHIBNCLFNIX-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H26-N-O3.Br

Molecular Weight

  • 420.344
 
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Names and Synonyms

Synonyms

  • 1-Ethyl-3-hydroxy-1-methylpyrrolidinium bromide benzilate
  • AHR 329

Systematic Name

  • Pyrrolidinium, 1-ethyl-3-hydroxy-1-methyl-, bromide, benzilate

Registry Numbers

CAS Registry Number

  • 13696-05-4

System Generated Number

  • 0013696054

Molecular Formulas

Molecular Formula

  • C21-H26-N-O3.Br

Molecular Formula Fragments

  • Br
  • C21-H26-N-O3
  • COMPONENT

Structure Descriptors

InChI

1S/C21H26NO3.BrH/c1-3-22(2)15-14-19(16-22)25-20(23)21(24,17-10-6-4-7-11-17)18-12-8-5-9-13-18;/h4-13,19,24H,3,14-16H2,1-2H3;1H/q+1;/p-1

InChIKey

HTAKHIBNCLFNIX-UHFFFAOYSA-M

Smiles

C1[C@@H](CC[N@@+]1(C)CC)OC(=O)C(c1ccccc1)(c1ccccc1)O.[BrH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 65mg/kg (65mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

SENSE ORGANS AND SPECIAL SENSES: MYDRIASIS (PUPILLARY DILATION): EYE

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
Journal of Medicinal and Pharmaceutical Chemistry. Vol. 2, Pg. 523, 1960.
mouse LD50 oral 400mg/kg (400mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

SENSE ORGANS AND SPECIAL SENSES: MYDRIASIS (PUPILLARY DILATION): EYE

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
Journal of Medicinal and Pharmaceutical Chemistry. Vol. 2, Pg. 523, 1960.