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Substance Name: Coumarin, 3-butyl-
RN: 66898-41-7
InChIKey: ILNZTQHAUGSLGG-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H14-O2

Molecular Weight

  • 202.252
 
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Names and Synonyms

Synonyms

  • 2H-1-Benzopyran-2-one, 3-butyl-
  • 3-Butyl-2H-1-benzopyran-2-one
  • 3-Butylcoumarin
  • 4-17-00-05128 (Beilstein Handbook Reference)
  • BRN 0148683

Systematic Name

  • Coumarin, 3-butyl-

Registry Numbers

CAS Registry Number

  • 66898-41-7

System Generated Number

  • 0066898417

Structure Descriptors

InChI

1S/C13H14O2/c1-2-3-6-11-9-10-7-4-5-8-12(10)15-13(11)14/h4-5,7-9H,2-3,6H2,1H3

InChIKey

ILNZTQHAUGSLGG-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 542mg/kg (542mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Yakugaku Zasshi. Journal of Pharmacy. Vol. 76, Pg. 186, 1956.