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Substance Name: 2H-1-Benzopyran-6-carboxylic acid, 3-acetyl-2-oxo-, methyl ester
RN: 6468-74-2
InChIKey: GFZSZJXILLUFFN-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H10-O5

Molecular Weight

  • 246.217
 
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Names and Synonyms

Synonyms

  • 3-Acetyl-2-oxo-2H-1-benzopyran-6-carboxylic acid methyl ester
  • 3-Acetyl-6-carbomethoxycoumarin
  • 5-18-08-00582 (Beilstein Handbook Reference)
  • BRN 1383306
  • SC-359

Systematic Name

  • 2H-1-Benzopyran-6-carboxylic acid, 3-acetyl-2-oxo-, methyl ester

Registry Numbers

CAS Registry Number

  • 6468-74-2

System Generated Number

  • 0006468742

Structure Descriptors

InChI

1S/C13H10O5/c1-7(14)10-6-9-5-8(12(15)17-2)3-4-11(9)18-13(10)16/h3-6H,1-2H3

InChIKey

GFZSZJXILLUFFN-UHFFFAOYSA-N

Smiles

COC(=O)c1ccc2OC(=O)C(=Cc2c1)C(=O)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1100mg/kg (1100mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) Arzneimittel-Forschung. Drug Research. Vol. 15, Pg. 910, 1965.