Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Pyrrolidinium, 1-butyl-3-hydroxy-1-methyl-, bromide, alpha-cyclopentylmandelate
RN: 102584-63-4
InChIKey: PHIRWQDAQOFMDE-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H34-N-O3.Br

Molecular Weight

  • 440.4186
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Synonyms

  • 1-Butyl-3-hydroxy-1-methylpyrrolidinium bromide alpha-cyclopentylmandelate
  • AHR 372

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 102584-63-4

System Generated Number

  • 0102584634

Molecular Formulas

Molecular Formula

  • C22-H34-N-O3.Br

Molecular Formula Fragments

  • Br
  • C22-H34-N-O3
  • COMPONENT

Structure Descriptors

InChI

1S/C22H34NO3.BrH/c1-3-4-15-23(2)16-14-20(17-23)26-21(24)22(25,19-12-8-9-13-19)18-10-6-5-7-11-18;/h5-7,10-11,19-20,25H,3-4,8-9,12-17H2,1-2H3;1H/q+1;/p-1

InChIKey

PHIRWQDAQOFMDE-UHFFFAOYSA-M

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 32mg/kg (32mg/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.