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Substance Name: Pyrrolidine, 1-(2-(alpha-(alpha,alpha,alpha-trifluoro-p-tolyl)benzyloxy)ethyl)-, fumarate
RN: 1526-66-5
InChIKey: JEFQKWSHJPDUOI-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

Synonym

  • 1-(2-(alpha-(alpha,alpha,alpha-Trifluoro-p-tolyl)benzyloxy)ethyl)pyrrolidine fumarate

Systematic Name

  • Pyrrolidine, 1-(2-(alpha-(alpha,alpha,alpha-trifluoro-p-tolyl)benzyloxy)ethyl)-, fumarate

Registry Numbers

CAS Registry Number

  • 1526-66-5

System Generated Number

  • 0001526665

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

InChIKey

JEFQKWSHJPDUOI-WLHGVMLRSA-N

Smiles

N1(CCO[C@@H](c2ccccc2)c2ccc(C(F)(F)F)cc2)CCCC1.C(\C=C\C(=O)O)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo intraperitoneal 150mg/kg (150mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 14, Pg. 964, 1964.
mouse LDLo intravenous 40mg/kg (40mg/kg) BEHAVIORAL: ATAXIA Arzneimittel-Forschung. Drug Research. Vol. 14, Pg. 964, 1964.
mouse LDLo oral > 1gm/kg (1000mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 14, Pg. 964, 1964.