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Substance Name: L-Proline, 1-((4-fluorophenyl)methyl)-5-oxo-, compd. with N-ethylethanamine (1:1)
RN: 59749-31-4
InChIKey: NRYXNOPHUPKROJ-PPHPATTJSA-N

Molecular Formula

  • C12-H12-F-N-O3.C4-H11-N

Molecular Weight

  • 310.3667
 
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Names and Synonyms

Synonyms

  • 1-((4-Fluorophenyl)methyl)-5-oxo-L-proline compd. with N-ethylethanamine (1:1)
  • N-(p-Fluorobenzyl)pyroglutamate de diethylamine
  • N-(p-Fluorobenzyl)pyroglutamate de diethylamine [French]

Systematic Name

  • L-Proline, 1-((4-fluorophenyl)methyl)-5-oxo-, compd. with N-ethylethanamine (1:1)

Registry Numbers

CAS Registry Number

  • 59749-31-4

System Generated Number

  • 0059749314

Molecular Formulas

Molecular Formula

  • C12-H12-F-N-O3.C4-H11-N

Molecular Formula Fragments

  • C12-H12-F-N-O3
  • C4-H11-N
  • COMPONENT

Structure Descriptors

InChI

1S/C12H12FNO3.C4H11N/c13-9-3-1-8(2-4-9)7-14-10(12(16)17)5-6-11(14)15;1-3-5-4-2/h1-4,10H,5-7H2,(H,16,17);5H,3-4H2,1-2H3/t10-;/m0./s1

InChIKey

NRYXNOPHUPKROJ-PPHPATTJSA-N

Smiles

CCNCC.c1cc(ccc1CN2[C@@H](CCC2=O)C(=O)O)F

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD oral > 1200mg/kg (1200mg/kg)   French Demande Patent Document. Vol. #2273533,