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Substance Name: 1H-Indole-3-acetic acid, 1-(2-cyclohexyl-2-oxoethyl)-5-methoxy-2-methyl-
RN: 106287-92-7
InChIKey: OWWZKHOBMDDUBP-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H25-N-O4

Molecular Weight

  • 343.421
 
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Names and Synonyms

Synonyms

  • 1-(2-Cyclohexyl-2-oxoethyl)-5-methoxy-2-methyl-1H-indole-3-acetic acid
  • BRN 5623001

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 106287-92-7

System Generated Number

  • 0106287927

Structure Descriptors

InChI

1S/C20H25NO4/c1-13-16(11-20(23)24)17-10-15(25-2)8-9-18(17)21(13)12-19(22)14-6-4-3-5-7-14/h8-10,14H,3-7,11-12H2,1-2H3,(H,23,24)

InChIKey

OWWZKHOBMDDUBP-UHFFFAOYSA-N

Smiles

c12c(n(CC(C3CCCCC3)=O)c(c1CC(O)=O)C)ccc(c2)OC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 1gm/kg (1000mg/kg)   Pharmaceutical Chemistry Journal Vol. 20, Pg. 733, 1986.