Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 4H-1-Benzopyran-2-carboxylic acid, 3-methyl-4-oxo-, ethyl ester
RN: 20924-63-4
InChIKey: OQATUSWUYAWKPX-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H12-O4

Molecular Weight

  • 232.234
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Synonyms

  • 5-18-08-00338 (Beilstein Handbook Reference)
  • BRN 0203882
  • Ethyl 3-methyl-4-oxo-4H-1-benzopyran-2-carboxylate

Systematic Name

  • 4H-1-Benzopyran-2-carboxylic acid, 3-methyl-4-oxo-, ethyl ester

Registry Numbers

CAS Registry Number

  • 20924-63-4

System Generated Number

  • 0020924634

Structure Descriptors

InChI

1S/C13H12O4/c1-3-16-13(15)12-8(2)11(14)9-6-4-5-7-10(9)17-12/h4-7H,3H2,1-2H3

InChIKey

OQATUSWUYAWKPX-UHFFFAOYSA-N

Smiles

c1(c(c(c2c(o1)cccc2)=O)C)C(=O)OCC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LD50 oral 2350mg/kg (2350mg/kg)   Progress in Medical Chemistry. Vol. 9, Pg. 65, 1973.
mammal (species unspecified) LD50 subcutaneous > 2500mg/kg (2500mg/kg)   Progress in Medical Chemistry. Vol. 9, Pg. 65, 1973.
mouse LD50 oral > 100mg/kg (100mg/kg)   Journal of Medicinal Chemistry. Vol. 15, Pg. 865, 1972.