Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 1-Pyrrolidinepropanol, alpha,alpha-bis(alpha,alpha,alpha-trifluoro-o-tolyl)-beta-methyl-, hydrochloride
RN: 102584-54-3
InChIKey: VABLBZOLPWOUMR-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H23-F6-N-O.Cl-H

Molecular Weight

  • 467.8786
 
* 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

  • 1,1-(3,3'-Bis(trifluoromethyl)diphenyl)-2-methyl-3-(pyrrolidinyl)propanol hydrochloride
  • 3,3'-Bis(trifluoromethyl)-alpha-(1-methyl-2-(pyrrolidinyl)ethyl)benzhydrol hydrochloride
  • Benzhydrol, 3,3'-bis(trifluoromethyl)-alpha-(1-methyl-2-(pyrrolidiny)ethyl)-, HCl

Systematic Name

  • 1-Pyrrolidinepropanol, alpha,alpha-bis(alpha,alpha,alpha-trifluoro-o-tolyl)-beta-methyl-, hydrochloride

Registry Numbers

CAS Registry Number

  • 102584-54-3

System Generated Number

  • 0102584543

Molecular Formulas

Molecular Formula

  • C22-H23-F6-N-O.Cl-H

Molecular Formula Fragments

  • C22-H23-F6-N-O
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C22H23F6NO.ClH/c1-15(14-29-12-6-7-13-29)20(30,16-8-2-4-10-18(16)21(23,24)25)17-9-3-5-11-19(17)22(26,27)28;/h2-5,8-11,15,30H,6-7,12-14H2,1H3;1H

InChIKey

VABLBZOLPWOUMR-UHFFFAOYSA-N

Smiles

CC(CN1CCCC1)C(c2ccccc2C(F)(F)F)(c3ccccc3C(F)(F)F)O.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 562mg/kg (562mg/kg)   Journal of Medicinal Chemistry. Vol. 14, Pg. 1106, 1971.