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Substance Name: Coumarin, 3-ethyl-
RN: 66898-39-3
InChIKey: LKAXCASKXOSFIU-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C11-H10-O2

Molecular Weight

  • 174.198
 
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Names and Synonyms

Synonyms

  • 2H-1-Benzopyran-2-one, 3-ethyl-
  • 3-Ethyl-2H-1-benzopyran-2-one
  • 3-Ethylcoumarin
  • 5-17-10-00185 (Beilstein Handbook Reference)
  • BRN 0133158

Systematic Name

  • Coumarin, 3-ethyl-

Registry Numbers

CAS Registry Number

  • 66898-39-3

System Generated Number

  • 0066898393

Structure Descriptors

InChI

1S/C11H10O2/c1-2-8-7-9-5-3-4-6-10(9)13-11(8)12/h3-7H,2H2,1H3

InChIKey

LKAXCASKXOSFIU-UHFFFAOYSA-N

Smiles

c12c(oc(=O)c(c1)CC)cccc2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 209mg/kg (209mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Yakugaku Zasshi. Journal of Pharmacy. Vol. 76, Pg. 186, 1956.