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Substance Name: Pyrrolidinium, 1-cyclohexyl-3-hydroxy-1-methyl-, bromide, alpha-cyclopentylmandelate
RN: 102584-64-5
InChIKey: VFVYPONLYZWJBN-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C24-H36-N-O3.Br

Molecular Weight

  • 466.4564
 
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Names and Synonyms

Synonyms

  • 1-Cyclohexyl-3-hydroxy-1-methylpyrrolidinium bromide alpha-cyclopentylmandelate
  • AHR 481

Systematic Name

  • Pyrrolidinium, 1-cyclohexyl-3-hydroxy-1-methyl-, bromide, alpha-cyclopentylmandelate

Registry Numbers

CAS Registry Number

  • 102584-64-5

System Generated Number

  • 0102584645

Molecular Formulas

Molecular Formula

  • C24-H36-N-O3.Br

Molecular Formula Fragments

  • Br
  • C24-H36-N-O3
  • COMPONENT

Structure Descriptors

InChI

1S/C24H36NO3.BrH/c1-25(21-14-6-3-7-15-21)17-16-22(18-25)28-23(26)24(27,20-12-8-9-13-20)19-10-4-2-5-11-19;/h2,4-5,10-11,20-22,27H,3,6-9,12-18H2,1H3;1H/q+1;/p-1

InChIKey

VFVYPONLYZWJBN-UHFFFAOYSA-M

Smiles

C[N+]1(CCC(C1)OC(=O)C(c2ccccc2)(C3CCCC3)O)C4CCCCC4.[Br-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 115mg/kg (115mg/kg) SENSE ORGANS AND SPECIAL SENSES: MYDRIASIS (PUPILLARY DILATION): EYE

LUNGS, THORAX, OR RESPIRATION: DYSPNEA

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Journal of Medicinal and Pharmaceutical Chemistry. Vol. 2, Pg. 523, 1960.