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Substance Name: Coumachlor sodium salt
RN: 169385-03-9
InChIKey: KQCCQPPQFRDGBB-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H14-Cl-O4.Na

Molecular Weight

  • 364.7586
 
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Names and Synonyms

Results Name

  • Coumachlor sodium salt

Synonyms

  • 3-(1-(4-Chlorophenyl)-3-oxobutyl)-4-hydroxy-2H-1-benzopyran-2-one sodium salt
  • 4-Hydroxy-3-(1-(4-chlorophenyl)-3-oxobutyl)-2H-1-benzopyran-2-one sodium salt
  • Coumachlor sodium salt

Systematic Name

  • 2H-1-Benzopyran-2-one, 3-(1-(4-chlorophenyl)-3-oxobutyl)-4-hydroxy-, sodium salt

Registry Numbers

CAS Registry Number

  • 169385-03-9

System Generated Number

  • 0169385039

Molecular Formulas

Molecular Formula

  • C19-H14-Cl-O4.Na

Molecular Formula Fragments

  • C19-H14-Cl-O4
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C19H15ClO4.Na/c1-11(21)10-15(12-6-8-13(20)9-7-12)17-18(22)14-4-2-3-5-16(14)24-19(17)23;/h2-9,15,22H,10H2,1H3;/q;+1/p-1

InChIKey

KQCCQPPQFRDGBB-UHFFFAOYSA-M

Smiles

CC(=O)CC(c1ccc(cc1)Cl)c2c(c3ccccc3oc2=O)[O-].[Na+]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 225mg/kg (225mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 30, Pg. 531, 1995.
mouse LD50 oral 1315mg/kg (1315mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 30, Pg. 531, 1995.