Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 1-Isobutyl-2,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-3-indoleacetic acid
RN: 121625-72-7
InChIKey: VTUCUFBISPCBQM-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H25-N-O3

Molecular Weight

  • 291.388
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • 1-Isobutyl-2,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-3-indoleacetic acid

Synonyms

  • 1-(2-Methylpropyl)-4-oxo-2,6,6-trimethyl-4,5,6,7-tetrahydro-1H-indol-3-acetic acid
  • 4,5,6,7-Tetrahydro-1-(2-methylpropyl)-4-oxo-2,6,6-trimethyl-1H-indol-3-acetic acid
  • BRN 5070498
  • C 9001-GO

Systematic Name

  • 1H-Indole-3-acetic acid, 4,5,6,7-tetrahydro-1-(2-methylpropyl)-4-oxo-2,6,6-trimethyl-

Registry Numbers

CAS Registry Number

  • 121625-72-7

System Generated Number

  • 0121625727

Structure Descriptors

InChI

1S/C17H25NO3/c1-10(2)9-18-11(3)12(6-15(20)21)16-13(18)7-17(4,5)8-14(16)19/h10H,6-9H2,1-5H3,(H,20,21)

InChIKey

VTUCUFBISPCBQM-UHFFFAOYSA-N

Smiles

n1(c(c(c2C(CC(Cc12)(C)C)=O)CC(=O)O)C)CC(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LD50 oral > 500mg/kg (500mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 39, Pg. 548, 1989.
mouse LD50 oral > 5gm/kg (5000mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 39, Pg. 548, 1989.
rat LD50 oral > 3gm/kg (3000mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 39, Pg. 548, 1989.