Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Benzoic acid, 4-bromo-, 4-(dioctylamino)-2-butynyl ester
RN: 130421-66-8
InChIKey: WXUSEAOQYVWVOK-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C27-H42-Br-N-O2

Molecular Weight

  • 492.5378
 
* 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

  • 4-(Dioctylamino)-2-butynyl 4-bromobenzoate
  • BRN 4762833

Systematic Name

  • Benzoic acid, 4-bromo-, 4-(dioctylamino)-2-butynyl ester

Registry Numbers

CAS Registry Number

  • 130421-66-8

System Generated Number

  • 0130421668

Structure Descriptors

InChI

1S/C27H42BrNO2/c1-3-5-7-9-11-13-21-29(22-14-12-10-8-6-4-2)23-15-16-24-31-27(30)25-17-19-26(28)20-18-25/h17-20H,3-14,21-24H2,1-2H3

InChIKey

WXUSEAOQYVWVOK-UHFFFAOYSA-N

Smiles

CCCCCCCCN(CCCCCCCC)CC#CCOC(=O)c1ccc(cc1)Br

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD subcutaneous > 1500mg/kg (1500mg/kg)   Pharmaceutical Chemistry Journal Vol. 24, Pg. 560, 1990.