Skip Navigation
ChemIDplus Lite•Browse•Advanced

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
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Regulatory Agencies (Superlist Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

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
  • NSC 759629
  • 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

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

COc1ccc(cc1)C2C(=O)c3ccccc3C2=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.