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Substance Name: Pyrrolidinium, 1-benzyl-3-hydroxy-1-methyl-, bromide, alpha-cyclopentylmandelate
RN: 65976-16-1
InChIKey: APGKBRBVLJYDRL-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C25-H32-N-O3.Br

Molecular Weight

  • 474.4358
 
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Names and Synonyms

Synonyms

  • 1-Benzyl-3-hydroxy-1-methylpyrrolidinium bromide alpha-cyclopentylmandelate
  • AHR 479

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 65976-16-1

System Generated Number

  • 0065976161

Molecular Formulas

Molecular Formula

  • C25-H32-N-O3.Br

Molecular Formula Fragments

  • Br
  • C25-H32-N-O3
  • COMPONENT

Structure Descriptors

InChI

1S/C25H32NO3.BrH/c1-26(18-20-10-4-2-5-11-20)17-16-23(19-26)29-24(27)25(28,22-14-8-9-15-22)21-12-6-3-7-13-21;/h2-7,10-13,22-23,28H,8-9,14-19H2,1H3;1H/q+1;/p-1

InChIKey

APGKBRBVLJYDRL-UHFFFAOYSA-M

Smiles

C[N+]1(CCC(C1)OC(=O)C(c2ccccc2)(C3CCCC3)O)Cc4ccccc4.[Br-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 72mg/kg (72mg/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.