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Substance Name: 1H-Indole-3-acetic acid, 1-(2-(4-chlorophenyl)-2-oxoethyl)-5-methoxy-2-methyl-
RN: 106314-72-1
InChIKey: CDRVJEBSVVMFET-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H18-Cl-N-O4

Molecular Weight

  • 371.818
 
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Names and Synonyms

Synonyms

  • 1-(2-(4-Chlorophenyl)-2-oxoethyl)-5-methoxy-2-methyl-1H-indole-3-acetic acid
  • 1-(4-Chlorophenacyl)-2-methyl-5-methoxyindol-3-ylacetic acid
  • BRN 5632676

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 106314-72-1

System Generated Number

  • 0106314721

Structure Descriptors

InChI

1S/C20H18ClNO4/c1-12-16(10-20(24)25)17-9-15(26-2)7-8-18(17)22(12)11-19(23)13-3-5-14(21)6-4-13/h3-9H,10-11H2,1-2H3,(H,24,25)

InChIKey

CDRVJEBSVVMFET-UHFFFAOYSA-N

Smiles

c12c(n(CC(c3ccc(Cl)cc3)=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.