Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 2-Methoxy-1,4-naphthoquinone
RN: 2348-82-5
UNII: 39020BUT1D
InChIKey: OBGBGHKYJAOXRR-UHFFFAOYSA-N

Note

  • Isolated from Swertia calycina.

Classification Codes

  • Drug / Therapeutic Agent
  • TSCA Flag P (a Commenced PMN (Premanufacture Notice) Substance)

Molecular Formula

  • C11-H8-O3

Molecular Weight

  • 188.181
 
* denotes mobile formatted website

Links to Resources


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • 2-Methoxy-1,4-naphthoquinone

Synonyms

  • 2-Methoxy-1,4-naphthalenedione
  • 2-Methoxy-1,4-naphthoquinone
  • 2-Methoxy-p-naphthoquinone
  • 2-Methoxynaphthoquinone
  • AI3-17893
  • NSC 31530
  • UNII-39020BUT1D

Systematic Names

  • 1,4-Naphthalenedione, 2-methoxy-
  • 1,4-Naphthoquinone, 2-methoxy-

Registry Numbers

CAS Registry Number

  • 2348-82-5

FDA UNII

  • 39020BUT1D

System Generated Number

  • 0002348825

Structure Descriptors

InChI

1S/C11H8O3/c1-14-10-6-9(12)7-4-2-3-5-8(7)11(10)13/h2-6H,1H3

InChIKey

OBGBGHKYJAOXRR-UHFFFAOYSA-N

Smiles

c12c(C(C=C(C1=O)OC)=O)cccc2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
bird - wild LD50 oral 316mg/kg (316mg/kg)   Archives of Environmental Contamination and Toxicology. Vol. 12, Pg. 355, 1983.
mouse LD50 intraperitoneal 320mg/kg (320mg/kg)   Journal of Medicinal Chemistry. Vol. 26, Pg. 570, 1983.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 1.35 (none)   EXP
Water Solubility 3530 mg/L 25 EST
Vapor Pressure 7.92E-05 mm Hg 25 EST
Henry's Law Constant 1.29E-09 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.54E-11 cm3/molecule-sec 25 EST

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