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Substance Name: Anisindione [INN:BAN:NF]
RN: 117-37-3
UNII: S747T1ERAJ
InChIKey: XRCFXMGQEVUZFC-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H12-O3

Molecular Weight

  • 252.268
 
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Names and Synonyms

Name of Substance

  • Anisindione
  • Anisindione [INN:BAN:NF]

Synonyms

  • 1,3-Indanedione, 2-(4-methoxyphenyl)-
  • 1H-Indene-1,3(2H)-dione, 2-(4-methoxyphenyl)-
  • 2-(4-Methoxyphenyl)-1H-indene-1,3(2H)-dione
  • 2-(4-Methoxyphenyl)indan-1,3-dione
  • 2-(p-Methoxyphenyl)-1,3-indandione
  • 2-(p-Methoxyphenyl)indane-1,3-dione
  • 2-p-Anisyl-1,3-indandione
  • 2-para-Anisyl-1,3-indandione
  • 3-08-00-02931 (Beilstein Handbook Reference)
  • Andion
  • Anisin indandione
  • Anisindiona
  • Anisindiona [INN-Spanish]
  • Anisindione
  • Anisindionum
  • Anisindionum [INN-Latin]
  • BRN 1880681
  • EINECS 204-186-6
  • HSDB 3205
  • Miradon
  • SPE 2792
  • Unidone
  • UNII-S747T1ERAJ

Systematic Names

  • 1,3-Indandione, 2-(p-methoxyphenyl)-
  • 1H-Indene-1,3(2H)-dione, 2-(4-methoxyphenyl)-
  • 2-(p-Methoxyphenyl)indane-1,3-dione
  • 2-p-Anisyl-1,3-indandione
  • Anisindione

Superlist Name

  • Anisindione

Registry Numbers

CAS Registry Number

  • 117-37-3

FDA UNII

  • S747T1ERAJ

System Generated Number

  • 0000117373

Structure Descriptors

InChI

1S/C16H12O3/c1-19-11-8-6-10(7-9-11)14-15(17)12-4-2-3-5-13(12)16(14)18/h2-9,14H,1H3

InChIKey

XRCFXMGQEVUZFC-UHFFFAOYSA-N

Smiles

C1(c2ccc(OC)cc2)C(c2ccccc2C1=O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 200mg/kg (200mg/kg)   Journal of Medicinal Chemistry. Vol. 28, Pg. 1591, 1985.
mouse LD50 oral 300mg/kg (300mg/kg)   Medicina et Pharmacologia Experimentalis. Vol. 17, Pg. 497, 1967.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 156.5 deg C   EXP
log P (octanol-water) 2.88 (none)   EXP
Water Solubility 79.8 mg/L 25 EST
Vapor Pressure 6.20E-07 mm Hg 25 EST
Henry's Law Constant 2.83E-11 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.82E-11 cm3/molecule-sec 25 EST

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