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Substance Name: 3-Carbethoxy-6-carboxycoumarin
RN: 6468-72-0
InChIKey: IQXJOXZOUPRTSS-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H10-O6

Molecular Weight

  • 262.216
 
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Names and Synonyms

Results Name

  • 3-Carbethoxy-6-carboxycoumarin

Synonyms

  • 2-Oxo-2H-1-benzopyran-3,6-dicarboxylic acid 3-ethyl ester
  • 3-Carbethoxy-6-carboxycoumarin
  • 5-18-08-00673 (Beilstein Handbook Reference)
  • BRN 1292162
  • SC-351

Systematic Name

  • 2H-1-Benzopyran-3,6-dicarboxylic acid, 2-oxo-, 3-ethyl ester

Registry Numbers

CAS Registry Number

  • 6468-72-0

System Generated Number

  • 0006468720

Structure Descriptors

InChI

1S/C13H10O6/c1-2-18-12(16)9-6-8-5-7(11(14)15)3-4-10(8)19-13(9)17/h3-6H,2H2,1H3,(H,14,15)

InChIKey

IQXJOXZOUPRTSS-UHFFFAOYSA-N

Smiles

CCOC(=O)C1=Cc2cc(ccc2OC1=O)C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1300mg/kg (1300mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) Arzneimittel-Forschung. Drug Research. Vol. 15, Pg. 910, 1965.