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Substance Name: Alanine, 3-(p-chlorophenyl)-N-((2-methylpropoxy)carbonyl)-, monosodium salt, DL-
RN: 55327-78-1
InChIKey: VMZXUPAOUWBQFF-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H18-Cl-N-O4.Na

Molecular Weight

  • 321.734
 
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Names and Synonyms

Synonym

  • DL-3-(p-Chlorophenyl)-N-((2-methylpropoxy)carbonyl)alanine sodium salt

Systematic Names

  • Alanine, 3-(p-chlorophenyl)-N-((2-methylpropoxy)carbonyl)-, monosodium salt, DL-
  • DL-Phenylalanine, 4-chloro-N-((2-methylpropoxy)carbonyl)-, monosodium salt (9CI)

Registry Numbers

CAS Registry Number

  • 55327-78-1

System Generated Number

  • 0055327781

Molecular Formulas

Molecular Formula

  • C14-H18-Cl-N-O4.Na

Molecular Formula Fragments

  • C14-H18-Cl-N-O4
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C14H18ClNO4.Na/c1-9(2)8-20-14(19)16-12(13(17)18)7-10-3-5-11(15)6-4-10;/h3-6,9,12H,7-8H2,1-2H3,(H,16,19)(H,17,18);/q;+1/p-1

InChIKey

VMZXUPAOUWBQFF-UHFFFAOYSA-M

Smiles

c1(C[C@@H](NC(OCC(C)C)=O)C(=O)[O-])ccc(Cl)cc1.[Na+]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LDLo unreported 700mg/kg (700mg/kg)   Pharmaceutical Chemistry Journal Vol. 8, Pg. 663, 1974.