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Substance Name: 1,3-Butanedione, 2-chloro-1-(2-phenyl-1H-indol-3-yl)-
RN: 62367-86-6
InChIKey: APKVCPQMEGCARP-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H14-Cl-N-O2

Molecular Weight

  • 311.767
 
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Names and Synonyms

Synonyms

  • 1H-Indole, 3-(2-chloro-1,3-dioxobutyl)-2-phenyl-
  • 2-Chloro-1-(2-phenyl-1H-indol-3-yl)-1,3-butanedione
  • 5-21-11-00450 (Beilstein Handbook Reference)
  • BRN 1487001
  • Phenyl-2 (chloro-2' acetoacetyl)-3 indole
  • Phenyl-2 (chloro-2' acetoacetyl)-3 indole [French]

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 62367-86-6

System Generated Number

  • 0062367866

Structure Descriptors

InChI

1S/C18H14ClNO2/c1-11(21)16(19)18(22)15-13-9-5-6-10-14(13)20-17(15)12-7-3-2-4-8-12/h2-10,16,20H,1H3

InChIKey

APKVCPQMEGCARP-UHFFFAOYSA-N

Smiles

c1(c([nH]c2c1cccc2)c1ccccc1)C([C@@H](C(=O)C)Cl)=O

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.