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Substance Name: Indoxyl acetate
RN: 608-08-2
InChIKey: JBOPQACSHPPKEP-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C10-H9-N-O2

Molecular Weight

  • 175.186
 
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Names and Synonyms

Name of Substance

  • Indoxyl acetate

Synonyms

  • 3-Acetoxyindole
  • 3-Indoxyl acetate
  • 5-21-03-00006 (Beilstein Handbook Reference)
  • Acetic acid, 3-indolyl ester
  • BRN 0143086
  • EINECS 210-154-2
  • Indole, 3-acetato-
  • Indoxyl acetate
  • Indoxyl-O-acetate
  • Indoxylacetate
  • NSC 13964

Systematic Names

  • 1H-Indol-3-ol, 3-acetate
  • 1H-Indol-3-ol, acetate (ester)
  • 3-Acetoxyindole
  • Acetic acid, 3-indolyl ester
  • Indol-3-ol, acetate (ester) (8CI)

Registry Numbers

CAS Registry Number

  • 608-08-2

System Generated Number

  • 0000608082

Structure Descriptors

InChI

1S/C10H9NO2/c1-7(12)13-10-6-11-9-5-3-2-4-8(9)10/h2-6,11H,1H3

InChIKey

JBOPQACSHPPKEP-UHFFFAOYSA-N

Smiles

c12c([nH]cc1OC(C)=O)cccc2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 600mg/kg (600mg/kg)   Nippon Yakurigaku Zasshi. Japanese Journal of Pharmacology. Vol. 55, Pg. 1514, 1959.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 129 deg C   EXP
log P (octanol-water) 2.01 (none)   EXP
Water Solubility 1120 mg/L 25 EST
Vapor Pressure 2.09E-04 mm Hg 25 EST
Henry's Law Constant 1.07E-08 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.13E-10 cm3/molecule-sec 25 EST

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