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Substance Name: 1,3-Indandione, 2-(3,4-dimethoxyphenacyl)-2-hydroxy-
RN: 70780-21-1
InChIKey: JHBFGEOIOJLSIR-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H16-O6

Molecular Weight

  • 340.3294
 
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Names and Synonyms

Synonyms

  • 2-((3,4-Dimethoxybenzoyl)methyl)-2-hydroxy-1,3-dioxoindane
  • 2-(3,4-Dimethoxyphenacyl)-2-hydroxy-1,3-indandione
  • EINECS 274-886-4

Systematic Names

  • 1,3-Indandione, 2-(3,4-dimethoxyphenacyl)-2-hydroxy-
  • 2-(2-(3,4-Dimethoxyphenyl)-2-oxoethyl)-2-hydroxy-1H-indene-1,3(2H)-dione

Registry Numbers

CAS Registry Number

  • 70780-21-1

System Generated Number

  • 0070780211

Structure Descriptors

InChI

1S/C19H16O6/c1-24-15-8-7-11(9-16(15)25-2)14(20)10-19(23)17(21)12-5-3-4-6-13(12)18(19)22/h3-9,23H,10H2,1-2H3

InChIKey

JHBFGEOIOJLSIR-UHFFFAOYSA-N

Smiles

COc1ccc(cc1OC)C(=O)CC2(O)C(=O)c3ccccc3C2=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 3gm/kg (3000mg/kg) LUNGS, THORAX, OR RESPIRATION: CYANOSIS

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES
PCT Vol. #85-02768,
mouse LD50 oral > 10gm/kg (10000mg/kg)   United States Patent Document. Vol. #4816490,