Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Benzoic acid, 4-chloro-, 2-(1H-indol-3-yl)-2-oxoethyl ester
RN: 38693-03-7
InChIKey: NJZLCDYWZQEFBS-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H12-Cl-N-O3

Molecular Weight

  • 313.7388
 
* 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

  • 2-(1H-Indol-3-yl)-2-oxoethyl 4-chlorobenzoate
  • 4-Chlorobenzoic acid 2-(1H-indol-3-yl)-2-oxoethyl ester
  • 5-21-12-00354 (Beilstein Handbook Reference)
  • BRN 1490303

Systematic Name

  • Benzoic acid, 4-chloro-, 2-(1H-indol-3-yl)-2-oxoethyl ester

Registry Numbers

CAS Registry Number

  • 38693-03-7

System Generated Number

  • 0038693037

Structure Descriptors

InChI

1S/C17H12ClNO3/c18-12-7-5-11(6-8-12)17(21)22-10-16(20)14-9-19-15-4-2-1-3-13(14)15/h1-9,19H,10H2

InChIKey

NJZLCDYWZQEFBS-UHFFFAOYSA-N

Smiles

c1ccc2c(c1)c(c[nH]2)C(=O)COC(=O)c3ccc(cc3)Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo intraperitoneal > 800mg/kg (800mg/kg)   Pharmaceutical Chemistry Journal Vol. 6, Pg. 33, 1972.