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Substance Name: Alanine, N-cinnamoyl-3-phenyl-, hydrate, L-
RN: 73680-56-5
InChIKey: HEVXUVYZGXWKOC-JAMRDCJSSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H17-N-O3.H2-O

Molecular Weight

  • 313.351
 
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Names and Synonyms

Synonym

  • L-N-Cinnamoyl-3-phenylalanine hydrate

Systematic Name

  • Alanine, N-cinnamoyl-3-phenyl-, hydrate, L-

Registry Numbers

CAS Registry Number

  • 73680-56-5

System Generated Number

  • 0073680565

Molecular Formulas

Molecular Formula

  • C18-H17-N-O3.H2-O

Molecular Formula Fragments

  • C18-H17-N-O3
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C18H17NO3.H2O/c20-17(12-11-14-7-3-1-4-8-14)19-16(18(21)22)13-15-9-5-2-6-10-15;/h1-12,16H,13H2,(H,19,20)(H,21,22);1H2/b12-11+;/t16-;/m0./s1

InChIKey

HEVXUVYZGXWKOC-JAMRDCJSSA-N

Smiles

C([C@H](NC(\C=C\c1ccccc1)=O)C(O)=O)c1ccccc1.O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 232mg/kg (232mg/kg)   Journal of Medicinal Chemistry. Vol. 20, Pg. 1578, 1977.