Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Indole, 3-(N-ethyl-N-(4-hydroxybutyl)amino)ethyl-, 3,4,5-trimethoxybenzoate (ester)
RN: 1061-89-8
InChIKey: VMXIQTHYNDPIGK-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C26-H34-N2-O5

Molecular Weight

  • 454.564
 
* 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

Synonyms

  • 3-(N-Ethyl-N-(4-hydroxybutyl)amino)ethylindole 3,4,5-trimethoxybenzoate (ester)
  • Benzoic acid, 3,4,5-trimethoxy-, 4-(N-(2-indol-3-yl)ethyl-N-ethylamino)butyl ester
  • BRN 0501898

Systematic Name

  • Indole, 3-(N-ethyl-N-(4-hydroxybutyl)amino)ethyl-, 3,4,5-trimethoxybenzoate (ester)

Registry Numbers

CAS Registry Number

  • 1061-89-8

System Generated Number

  • 0001061898

Structure Descriptors

InChI

1S/C26H34N2O5/c1-5-28(14-12-19-18-27-22-11-7-6-10-21(19)22)13-8-9-15-33-26(29)20-16-23(30-2)25(32-4)24(17-20)31-3/h6-7,10-11,16-18,27H,5,8-9,12-15H2,1-4H3

InChIKey

VMXIQTHYNDPIGK-UHFFFAOYSA-N

Smiles

c12c(c[nH]c1cccc2)CC[N@@](CCCCOC(c1cc(c(OC)c(c1)OC)OC)=O)CC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 130mg/kg (130mg/kg)   Journal of Medicinal Chemistry. Vol. 6, Pg. 97, 1963.