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Substance Name: L-Proline, 1-((4-fluorophenyl)methyl)-5-oxo-, compd. with N-(1-methylethyl)benzenemethanamine (1:1)
RN: 59749-29-0
InChIKey: QBBPEMWWYYKNGJ-PPHPATTJSA-N

Molecular Formula

  • C12-H12-F-N-O3.C10-H15-N

Molecular Weight

  • 386.4643
 
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Names and Synonyms

Synonyms

  • N-(p-Fluorobenzyl)pyroglutamate de N'-isopropylbenzylamine
  • N-(p-Fluorobenzyl)pyroglutamate de N'-isopropylbenzylamine [French]

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 59749-29-0

System Generated Number

  • 0059749290

Molecular Formulas

Molecular Formula

  • C12-H12-F-N-O3.C10-H15-N

Molecular Formula Fragments

  • C10-H15-N
  • C12-H12-F-N-O3
  • COMPONENT

Structure Descriptors

InChI

1S/C12H12FNO3.C10H15N/c13-9-3-1-8(2-4-9)7-14-10(12(16)17)5-6-11(14)15;1-9(2)11-8-10-6-4-3-5-7-10/h1-4,10H,5-7H2,(H,16,17);3-7,9,11H,8H2,1-2H3/t10-;/m0./s1

InChIKey

QBBPEMWWYYKNGJ-PPHPATTJSA-N

Smiles

CC(C)NCc1ccccc1.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,