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Substance Name: 1,3-Butanedione, 2-((4-(dimethylamino)phenyl)methylene)-1-(2-phenyl-1H-indol-3-yl)-
RN: 62833-72-1
InChIKey: IXEWIHPBTHPLML-HAVVHWLPSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C27-H24-N2-O2

Molecular Weight

  • 408.4986
 
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Names and Synonyms

Synonyms

  • 2-((4-(Dimethylamino)phenyl)methylene)-1-(2-phenyl-1H-indol-3-yl)-1,3-butanedione
  • 5-22-13-00354 (Beilstein Handbook Reference)
  • BRN 0449267

Systematic Name

  • 1,3-Butanedione, 2-((4-(dimethylamino)phenyl)methylene)-1-(2-phenyl-1H-indol-3-yl)-

Registry Numbers

CAS Registry Number

  • 62833-72-1

System Generated Number

  • 0062833721

Structure Descriptors

InChI

1S/C27H24N2O2/c1-18(30)23(17-19-13-15-21(16-14-19)29(2)3)27(31)25-22-11-7-8-12-24(22)28-26(25)20-9-5-4-6-10-20/h4-17,28H,1-3H3/b23-17+

InChIKey

IXEWIHPBTHPLML-HAVVHWLPSA-N

Smiles

CC(=O)/C(=C\c1ccc(cc1)N(C)C)/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.