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Substance Name: 1-Pyrrolidinepropanol, alpha,alpha-bis(m-fluorophenyl)-beta-methyl-, hydrobromide
RN: 35844-98-5
InChIKey: YRFGXGTWGOBRNQ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H23-F2-N-O.Br-H

Molecular Weight

  • 412.316
 
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Names and Synonyms

Synonyms

  • 1,1-(3,3'-Difluorodiphenyl)-2-methyl-3-(pyrrolidinyl)propanol hydrobromide
  • 3,3'-Difluoro-alpha-(1-methyl-2-(pyrrolidinyl)ethyl)benzhydrol hydrobromide
  • Benzhydrol, 3,3'-difluoro-alpha-(1-methyl-2-(pyrrolidinyl)ethyl)-, hydrobromide

Systematic Name

  • 1-Pyrrolidinepropanol, alpha,alpha-bis(m-fluorophenyl)-beta-methyl-, hydrobromide

Registry Numbers

CAS Registry Number

  • 35844-98-5

System Generated Number

  • 0035844985

Molecular Formulas

Molecular Formula

  • C20-H23-F2-N-O.Br-H

Molecular Formula Fragments

  • Br-H
  • C20-H23-F2-N-O
  • COMPONENT

Structure Descriptors

InChI

1S/C20H23F2NO.BrH/c1-15(14-23-10-2-3-11-23)20(24,16-6-4-8-18(21)12-16)17-7-5-9-19(22)13-17;/h4-9,12-13,15,24H,2-3,10-11,14H2,1H3;1H

InChIKey

YRFGXGTWGOBRNQ-UHFFFAOYSA-N

Smiles

N1(CCCC1)C[C@@H](C(O)(c1cc(ccc1)F)c1cc(ccc1)F)C.Br

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 178mg/kg (178mg/kg)   Journal of Medicinal Chemistry. Vol. 14, Pg. 1106, 1971.