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Substance Name: 4H-1-Benzopyran-2-carboxylic acid, 4-oxo-, ethyl ester
RN: 14736-31-3
InChIKey: CJVFJZNWXDFXHF-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H10-O4

Molecular Weight

  • 218.207
 
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Names and Synonyms

Synonyms

  • 2-(Ethoxycarbonyl)chromone
  • 4-Oxo-4H-1-benzopyran-2-carboxylic acid ethyl ester
  • 5-18-08-00312 (Beilstein Handbook Reference)
  • BRN 0178173
  • Chromone-2-carboxylic acid ethyl ester
  • EINECS 238-797-4
  • Ethylchromone-2-carboxylate

Systematic Names

  • 4H-1-Benzopyran-2-carboxylic acid, 4-oxo-, ethyl ester
  • Ethyl 4-oxo-4H-1-benzopyran-2-carboxylate

Registry Numbers

CAS Registry Number

  • 14736-31-3

System Generated Number

  • 0014736313

Structure Descriptors

InChI

1S/C12H10O4/c1-2-15-12(14)11-7-9(13)8-5-3-4-6-10(8)16-11/h3-7H,2H2,1H3

InChIKey

CJVFJZNWXDFXHF-UHFFFAOYSA-N

Smiles

c12c(c(cc(o1)C(OCC)=O)=O)cccc2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD subcutaneous > 3gm/kg (3000mg/kg)   Yakugaku Zasshi. Journal of Pharmacy. Vol. 71, Pg. 686, 1951.
mouse LD50 intraperitoneal 1250mg/kg (1250mg/kg)   Pharmacology and Toxicology. English translation of FATOAO. Vol. 21, Pg. 555, 1958.
mouse LD50 oral > 100mg/kg (100mg/kg)   Journal of Medicinal Chemistry. Vol. 15, Pg. 865, 1972.