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Substance Name: Pyrrolidine, 1-benzyl-2-chloromethyl-, hydrochloride
RN: 60169-71-3
InChIKey: XNVJXDMTKSJNEA-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H16-Cl-N.Cl-H

Molecular Weight

  • 246.1793
 
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Names and Synonyms

Synonyms

  • 1-Benzyl-2-chloromethylpyrrolidine hydrochloride
  • ERL-547

Systematic Name

  • Pyrrolidine, 1-benzyl-2-chloromethyl-, hydrochloride

Registry Numbers

CAS Registry Number

  • 60169-71-3

System Generated Number

  • 0060169713

Molecular Formulas

Molecular Formula

  • C12-H16-Cl-N.Cl-H

Molecular Formula Fragments

  • C12-H16-Cl-N
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C12H16ClN.ClH/c13-9-12-7-4-8-14(12)10-11-5-2-1-3-6-11;/h1-3,5-6,12H,4,7-10H2;1H

InChIKey

XNVJXDMTKSJNEA-UHFFFAOYSA-N

Smiles

c1ccc(cc1)CN2CCCC2CCl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 500mg/kg (500mg/kg)   Journal of Medicinal and Pharmaceutical Chemistry. Vol. 4, Pg. 79, 1961.