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Substance Name: 2H-1-Benzopyran-3-carboxamide, N,N-diethyl-2-oxo-
RN: 18144-62-2
InChIKey: DIHKPWRAFNUESX-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H15-N-O3

Molecular Weight

  • 245.277
 
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Names and Synonyms

Synonyms

  • 4-18-00-05572 (Beilstein Handbook Reference)
  • BRN 0216665
  • Coumarin-3-carboxylic acid diethylamide
  • N,N-Diethyl-2-oxo-2H-1-benzopyran-3-carboxamide
  • N,N-Diethyl-3-coumarincarboxamide

Systematic Name

  • 2H-1-Benzopyran-3-carboxamide, N,N-diethyl-2-oxo-

Registry Numbers

CAS Registry Number

  • 18144-62-2

System Generated Number

  • 0018144622

Structure Descriptors

InChI

1S/C14H15NO3/c1-3-15(4-2)13(16)11-9-10-7-5-6-8-12(10)18-14(11)17/h5-9H,3-4H2,1-2H3

InChIKey

DIHKPWRAFNUESX-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 790mg/kg (790mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
Annales Pharmaceutiques Francaises. Vol. 22, Pg. 131, 1964.
mouse LD50 subcutaneous 586mg/kg (586mg/kg)   Yakugaku Zasshi. Journal of Pharmacy. Vol. 71, Pg. 686, 1951.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 1.230 (none)   EST
Water Solubility 7400 mg/L 37 EXP
Atmospheric OH Rate Constant 3.55E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.