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Substance Name: 1,3-Butanedione, 1-(2-phenyl-1H-indol-3-yl)-2-((2-hydroxyphenyl)methylene)-
RN: 62367-90-2
InChIKey: QSVJEDRNYGBKPZ-HMMYKYKNSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C25-H19-N-O3

Molecular Weight

  • 381.4291
 
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Names and Synonyms

Synonyms

  • 1-(2-Phenyl-1H-indol-3-yl)-2-((2-hydroxyphenyl)methylene)-1,3-butanedione
  • 1H-Indole, 3-(1,3-dioxo-2-((2-hydroxyphenyl)methylene)butyl)-2-phenyl-
  • 5-21-13-00417 (Beilstein Handbook Reference)
  • BRN 1600707

Systematic Name

  • 1,3-Butanedione, 1-(2-phenyl-1H-indol-3-yl)-2-((2-hydroxyphenyl)methylene)-

Registry Numbers

CAS Registry Number

  • 62367-90-2

System Generated Number

  • 0062367902

Structure Descriptors

InChI

1S/C25H19NO3/c1-16(27)20(15-18-11-5-8-14-22(18)28)25(29)23-19-12-6-7-13-21(19)26-24(23)17-9-3-2-4-10-17/h2-15,26,28H,1H3/b20-15+

InChIKey

QSVJEDRNYGBKPZ-HMMYKYKNSA-N

Smiles

CC(=O)/C(=C\c1ccccc1O)/C(=O)c2c3ccccc3[nH]c2c4ccccc4

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD oral > 500mg/kg (500mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 11, Pg. 471, 1976.