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Substance Name: Bromindione [USAN:INN:BAN]
RN: 1146-98-1
UNII: OQZ7BND2QN
InChIKey: NPUZIGSOEWMFKK-UHFFFAOYSA-N

Classification Codes

  • Anticoagulant
  • Drug / Therapeutic Agent
  • Human Data

Molecular Formula

  • C15-H9-Br-O2

Molecular Weight

  • 301.1381
 
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Names and Synonyms

Name of Substance

  • Bromindione
  • Bromindione [USAN:INN:BAN]

Synonyms

  • 1H-Indene-1,3(2H)-dione, 2-(4-bromophenyl)-
  • 2-(4-Bromofenil)-1,3-indandione
  • 2-(4-Bromofenil)-1,3-indandione [Italian]
  • 2-(4-Bromophenyl)-1,3-indandione
  • 2-(p-Bromophenyl)-1,3-indandione
  • 4-07-00-02572 (Beilstein Handbook Reference)
  • BRN 1878512
  • Bromindiona
  • Bromindiona [INN-Spanish]
  • Bromindione
  • Bromindionum
  • Bromindionum [INN-Latin]
  • Bromophenindione
  • Fluidane
  • Haldinone
  • Halinone
  • HL 255
  • M.G. 2555
  • MG 2555
  • p-Bromindione
  • p-Bromphenylindandione
  • UNII-OQZ7BND2QN

Systematic Names

  • 1,3-Indandione, 2-(p-bromophenyl)-
  • 1H-Indene-1,3(2H)-dione, 2-(4-bromophenyl)-
  • 2-p-Bromophenylindandione

Registry Numbers

CAS Registry Number

  • 1146-98-1

FDA UNII

  • OQZ7BND2QN

System Generated Number

  • 0001146981

Structure Descriptors

InChI

1S/C15H9BrO2/c16-10-7-5-9(6-8-10)13-14(17)11-3-1-2-4-12(11)15(13)18/h1-8,13H

InChIKey

NPUZIGSOEWMFKK-UHFFFAOYSA-N

Smiles

Brc1ccc(cc1)C2C(=O)c3ccccc3C2=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
human TDLo oral 214ug/kg (0.214mg/kg) BLOOD: HEMORRHAGE Current Therapeutic Research, Clinical & Experimental. Vol. 9, Pg. 372, 1967.
mouse LD50 oral 200mg/kg (200mg/kg)   Medicina et Pharmacologia Experimentalis. Vol. 17, Pg. 497, 1967.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 138 deg C   EXP
log P (octanol-water) 3.76 (none)   EXP
Water Solubility 7.440 mg/L 25 EST
Vapor Pressure 3.35E-07 mm Hg 25 EST
Henry's Law Constant 1.91E-10 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.92E-12 cm3/molecule-sec 25 EST

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