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Substance Name: L-Proline, 1-((4-fluorophenyl)methyl)-5-oxo-, (2,2-dimethyl-1,3-dioxolan-4-yl)methyl ester
RN: 59749-40-5
InChIKey: NESFVXPJDIYJAJ-LOACHALJSA-N

Molecular Formula

  • C18-H22-F-N-O5

Molecular Weight

  • 351.3718
 
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Names and Synonyms

Synonyms

  • 1-((4-Fluorophenyl)methyl)-5-oxo-L-proline (2,2-dimethyl-1,3-dioxolan-4-yl)methyl ester
  • N-(p-Fluorobenzyl)pyroglutamate de (dimethyl-2,2 dioxolanne-1,3-yl-4)-methyle
  • N-(p-Fluorobenzyl)pyroglutamate de (dimethyl-2,2 dioxolanne-1,3-yl-4)-methyle [French]

Systematic Name

  • L-Proline, 1-((4-fluorophenyl)methyl)-5-oxo-, (2,2-dimethyl-1,3-dioxolan-4-yl)methyl ester

Registry Numbers

CAS Registry Number

  • 59749-40-5

System Generated Number

  • 0059749405

Structure Descriptors

InChI

1S/C18H22FNO5/c1-18(2)24-11-14(25-18)10-23-17(22)15-7-8-16(21)20(15)9-12-3-5-13(19)6-4-12/h3-6,14-15H,7-11H2,1-2H3/t14?,15-/m0/s1

InChIKey

NESFVXPJDIYJAJ-LOACHALJSA-N

Smiles

CC1(OCC(O1)COC(=O)[C@@H]2CCC(=O)N2Cc3ccc(cc3)F)C

Toxicity

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