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Substance Name: L-Phenylalanine, N-(1-(cyanomethyl)-2-pyrrolidinylidene)-, hydrate
RN: 91417-78-6
InChIKey: QHOOBIFBRLBIGF-KLSJZZFUSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H17-N3-O2.H2-O

Molecular Weight

  • 289.3331
 
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Names and Synonyms

Synonyms

  • 1-Cyanomethyl-2-(N-(1-carboxy-2-phenylethyl))iminopyrrolidine hydrate
  • N-(1-(Cyanomethyl)-2-pyrrolidinylidene)-L-phenylalanine hydrate

Systematic Name

  • L-Phenylalanine, N-(1-(cyanomethyl)-2-pyrrolidinylidene)-, hydrate

Registry Numbers

CAS Registry Number

  • 91417-78-6

System Generated Number

  • 0091417786

Molecular Formulas

Molecular Formula

  • C15-H17-N3-O2.H2-O

Molecular Formula Fragments

  • C15-H17-N3-O2
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C15H17N3O2.H2O/c16-8-10-18-9-4-7-14(18)17-13(15(19)20)11-12-5-2-1-3-6-12;/h1-3,5-6,13H,4,7,9-11H2,(H,19,20);1H2/b17-14+;

InChIKey

QHOOBIFBRLBIGF-KLSJZZFUSA-N

Smiles

c1ccc(cc1)CC(C(=O)O)/N=C/2\CCCN2CC#N.O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 1500mg/kg (1500mg/kg)   Pharmaceutical Chemistry Journal Vol. 18, Pg. 154, 1984.