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Substance Name: 4H-1-Benzopyran-2-carboxylic acid, 5-(3-(4-cyanophenoxy)-2-hydroxypropoxy)-4-oxo-, monosodium salt
RN: 50799-24-1
InChIKey: CPKNHYFLKARNRP-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H14-N-O7.Na

Molecular Weight

  • 403.3206
 
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Names and Synonyms

Synonyms

  • Sodium 1-(4-cyanophenoxy)-2-hydroxy-3-(2-carboxy-chromon-5-yloxy)-propane
  • TR 2815

Systematic Name

  • 4H-1-Benzopyran-2-carboxylic acid, 5-(3-(4-cyanophenoxy)-2-hydroxypropoxy)-4-oxo-, monosodium salt

Registry Numbers

CAS Registry Number

  • 50799-24-1

System Generated Number

  • 0050799241

Molecular Formulas

Molecular Formula

  • C20-H14-N-O7.Na

Molecular Formula Fragments

  • C20-H14-N-O7
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C20H15NO7.Na/c21-9-12-4-6-14(7-5-12)26-10-13(22)11-27-16-2-1-3-17-19(16)15(23)8-18(28-17)20(24)25;/h1-8,13,22H,10-11H2,(H,24,25);/q;+1/p-1

InChIKey

CPKNHYFLKARNRP-UHFFFAOYSA-M

Smiles

c1cc2c(c(c1)OCC(COc3ccc(cc3)C#N)O)c(=O)cc(o2)C(=O)[O-].[Na+]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LD50 intravenous 958mg/kg (958mg/kg)   United States Patent Document. Vol. #4238495,