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Substance Name: 1H-Indole-2-carboxylic acid, 3-(methoxyphenylmethyl)-1-methyl-
RN: 61862-72-4
InChIKey: QNRPKBYUEZGECQ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H17-N-O3

Molecular Weight

  • 295.336
 
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Names and Synonyms

Synonyms

  • 1-Methyl-2-carboxy-3-(alpha-methoxybenzyl)indole
  • 3-(Methoxyphenylmethyl)-1-methyl-1H-indole-2-carboxylic acid
  • 5-22-05-00343 (Beilstein Handbook Reference)
  • BRN 0424673

Systematic Name

  • 1H-Indole-2-carboxylic acid, 3-(methoxyphenylmethyl)-1-methyl-

Registry Numbers

CAS Registry Number

  • 61862-72-4

System Generated Number

  • 0061862724

Structure Descriptors

InChI

1S/C18H17NO3/c1-19-14-11-7-6-10-13(14)15(16(19)18(20)21)17(22-2)12-8-4-3-5-9-12/h3-11,17H,1-2H3,(H,20,21)

InChIKey

QNRPKBYUEZGECQ-UHFFFAOYSA-N

Smiles

c1(c2c(cccc2)n(c1C(O)=O)C)[C@@H](c1ccccc1)OC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 500mg/kg (500mg/kg)   Pharmaceutical Chemistry Journal Vol. 10, Pg. 885, 1976.