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Substance Name: Etaqualone [INN]
RN: 7432-25-9
UNII: HFS3HB32J7
InChIKey: UVTJKLLUVOTSOB-UHFFFAOYSA-N

Molecular Formula

  • C17-H16-N2-O

Molecular Weight

  • 264.326
 
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Names and Synonyms

Name of Substance

  • Etaqualone
  • Etaqualone [INN]

Synonyms

  • 3-(o-Ethylphenyl)-2-methylquinazolin-4(3H)-one
  • 5-24-03-00135 (Beilstein Handbook Reference)
  • Aolan
  • Athinazone
  • BRN 0887484
  • Etacualona
  • Etacualona [INN-Spanish]
  • Etaqualone
  • Etaqualonum
  • Etaqualonum [INN-Latin]
  • Ethinazone
  • NSC 96163
  • UNII-HFS3HB32J7

Systematic Names

  • 3-(o-Ethylphenyl)-2-methyl-4(3H)-quinazolinone
  • 4(3H)-Quinazolinone, 3-(2-ethylphenyl)-2-methyl-
  • 4(3H)-Quinazolinone, 3-(o-ethylphenyl)-2-methyl-

Registry Numbers

CAS Registry Number

  • 7432-25-9

FDA UNII

  • HFS3HB32J7

System Generated Number

  • 0007432259

Structure Descriptors

InChI

InChI=1S/C17H16N2O/c1-3-13-8-4-7-11-16(13)19-12(2)18-15-10-6-5-9-14(15)17(19)20/h4-11H,3H2,1-2H3

InChIKey

UVTJKLLUVOTSOB-UHFFFAOYSA-N

Smiles

CCc1ccccc1N2C(=Nc3ccccc3C2=O)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 320mg/kg (320mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#03782,

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 81 deg C   EXP
log P (octanol-water) 4.820 (none)   EST
Atmospheric OH Rate Constant 1.75E-11 cm3/molecule-sec 25 EST

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