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Substance Name: D-Phenylalanine, N-(3-(4-nitrophenyl)-3-oxopropyl)-, monohydrochloride
RN: 85975-17-3
InChIKey: JLIJIQVRIJLKGX-PKLMIRHRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H18-N2-O5.Cl-H

Molecular Weight

  • 378.8101
 
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Names and Synonyms

Synonym

  • N-(3-(4-Nitrophenyl)-3-oxopropyl)-D-phenylalanine monohydrochloride

Systematic Name

  • D-Phenylalanine, N-(3-(4-nitrophenyl)-3-oxopropyl)-, monohydrochloride

Registry Numbers

CAS Registry Number

  • 85975-17-3

System Generated Number

  • 0085975173

Molecular Formulas

Molecular Formula

  • C18-H18-N2-O5.Cl-H

Molecular Formula Fragments

  • C18-H18-N2-O5
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C18H18N2O5.ClH/c21-17(14-6-8-15(9-7-14)20(24)25)10-11-19-16(18(22)23)12-13-4-2-1-3-5-13;/h1-9,16,19H,10-12H2,(H,22,23);1H/t16-;/m1./s1

InChIKey

JLIJIQVRIJLKGX-PKLMIRHRSA-N

Smiles

c1ccc(cc1)C[C@H](C(=O)O)NCCC(=O)c2ccc(cc2)[N+](=O)[O-].Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 intraperitoneal 150mg/kg (150mg/kg)   Pharmaceutical Chemistry Journal Vol. 17, Pg. 195, 1983.