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Substance Name: 1H-Indole-3-acetic acid, 5-methoxy-2-methyl-1-(2-(4-methylphenyl)-2-oxoethyl)-
RN: 106287-91-6
InChIKey: PZBBUEAPAIYTBN-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H21-N-O4

Molecular Weight

  • 351.4
 
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Names and Synonyms

Synonyms

  • 1-(4-Methylphenacyl)-2-methyl-5-methoxyindol-3-ylacetic acid
  • 5-Methoxy-2-methyl-1-(2-(4-methylphenyl)-2-oxoethyl)-1H-indole-3-acetic acid
  • BRN 5625454

Systematic Name

  • 1H-Indole-3-acetic acid, 5-methoxy-2-methyl-1-(2-(4-methylphenyl)-2-oxoethyl)-

Registry Numbers

CAS Registry Number

  • 106287-91-6

System Generated Number

  • 0106287916

Structure Descriptors

InChI

1S/C21H21NO4/c1-13-4-6-15(7-5-13)20(23)12-22-14(2)17(11-21(24)25)18-10-16(26-3)8-9-19(18)22/h4-10H,11-12H2,1-3H3,(H,24,25)

InChIKey

PZBBUEAPAIYTBN-UHFFFAOYSA-N

Smiles

c12c(n(CC(c3ccc(C)cc3)=O)c(c1CC(O)=O)C)ccc(c2)OC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 900mg/kg (900mg/kg)   Pharmaceutical Chemistry Journal Vol. 20, Pg. 733, 1986.