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Substance Name: Pyrrolidine, 1-(2-(alpha-(alpha,alpha,alpha-trifluoro-m-tolyl)benzyloxy)ethyl)-, fumarate
RN: 1526-65-4
InChIKey: BKFSJUICBXQQLV-WLHGVMLRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H22-F3-N-O.C4-H4-O4

Molecular Weight

  • 465.465
 
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Names and Synonyms

Synonyms

  • 1-(2-(alpha-(alpha,alpha,alpha-Trifluoro-m-tolyl)benzyloxy)ethyl)pyrrolidine fumarate
  • N-(2-((alpha-Phenyl-m-trifluoromethylbenzyl)oxy)ethyl)pyrrolidinefurmarate
  • NSC 170426

Systematic Names

  • Pyrrolidine, 1-(2-((alpha-phenyl-m-(trifluoromethyl)benzyl)oxy)ethyl)-, fumarate (1:1) (8CI)
  • Pyrrolidine, 1-(2-(alpha-(alpha,alpha,alpha-trifluoro-m-tolyl)benzyloxy)ethyl)-, fumarate

Registry Numbers

CAS Registry Number

  • 1526-65-4

System Generated Number

  • 0001526654

Molecular Formulas

Molecular Formula

  • C20-H22-F3-N-O.C4-H4-O4

Molecular Formula Fragments

  • C20-H22-F3-N-O
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C20H22F3NO.C4H4O4/c21-20(22,23)18-10-6-9-17(15-18)19(16-7-2-1-3-8-16)25-14-13-24-11-4-5-12-24;5-3(6)1-2-4(7)8/h1-3,6-10,15,19H,4-5,11-14H2;1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

BKFSJUICBXQQLV-WLHGVMLRSA-N

Smiles

N1(CCO[C@@H](c2ccccc2)c2cccc(C(F)(F)F)c2)CCCC1.C(\C=C\C(=O)O)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 16mg/kg (16mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#11980,
mouse LDLo oral 150mg/kg (150mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: TREMOR
Arzneimittel-Forschung. Drug Research. Vol. 14, Pg. 964, 1964.